5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole

C95H63F21N29O2S6+ — CID 158656881

IUPAC5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCNC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C(F)(F)F)n1.CCNC(=O)n1nccc1-c1sc(-c2ccc[nH+]c2)nc1C(F)(F)F.FC(F)(F)Cn1ccc(-c2sc(-c3cccnc3)nc2C(F)(F)F)n1.FC(F)(F)c1nc(-c2cccnc2)sc1-c1ccnc(-c2ccccn2)n1.FC(F)(F)c1nc(-c2cccnc2)sc1-c1ccnc(-c2ncccn2)n1.FC(F)(F)c1nc(-c2cccnc2)sc1-c1ccnc(C2CC2)n1
InChIInChI=1S/C18H10F3N5S.C17H9F3N6S.C16H11F3N4S.2C15H12F3N5OS.C14H8F6N4S/c19-18(20,21)15-14(27-17(26-15)11-4-3-7-22-10-11)12-6-9-24-16(25-12)13-5-1-2-8-23-13;18-17(19,20)13-12(27-16(26-13)10-3-1-5-21-9-10)11-4-8-24-15(25-11)14-22-6-2-7-23-14;17-16(18,19)13-12(11-5-7-21-14(22-11)9-3-4-9)24-15(23-13)10-2-1-6-20-8-10;1-2-20-14(24)23-7-5-10(22-23)11-12(15(16,17)18)21-13(25-11)9-4-3-6-19-8-9;1-2-20-14(24)23-10(5-7-21-23)11-12(15(16,17)18)22-13(25-11)9-4-3-6-19-8-9;15-13(16,17)7-24-5-3-9(23-24)10-11(14(18,19)20)22-12(25-10)8-2-1-4-21-6-8/h1-10H;1-9H;1-2,5-9H,3-4H2;2*3-8H,2H2,1H3,(H,20,24);1-6H,7H2/p+1
InChIKeyULDWNRWUAXTLOT-UHFFFAOYSA-O
MW2234.11 g/mol
LogP24.84
Rot. Bonds18

About 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole

5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 158656881) has the molecular formula C95H63F21N29O2S6+ and a molecular weight of 2234.11 g/mol. Its IUPAC name is 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID158656881
Molecular FormulaC95H63F21N29O2S6+
Molecular Weight2234.11 g/mol
Exact Mass2232.37
IUPAC Name5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCNC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C(F)(F)F)n1.CCNC(=O)n1nccc1-c1sc(-c2ccc[nH+]c2)nc1C(F)(F)F.FC(F)(F)Cn1ccc(-c2sc(-c3cccnc3)nc2C(F)(F)F)n1.FC(F)(F)c1nc(-c2cccnc2)sc1-c1ccnc(-c2ccccn2)n1.FC(F)(F)c1nc(-c2cccnc2)sc1-c1ccnc(-c2ncccn2)n1.FC(F)(F)c1nc(-c2cccnc2)sc1-c1ccnc(C2CC2)n1
InChIInChI=1S/C18H10F3N5S.C17H9F3N6S.C16H11F3N4S.2C15H12F3N5OS.C14H8F6N4S/c19-18(20,21)15-14(27-17(26-15)11-4-3-7-22-10-11)12-6-9-24-16(25-12)13-5-1-2-8-23-13;18-17(19,20)13-12(27-16(26-13)10-3-1-5-21-9-10)11-4-8-24-15(25-11)14-22-6-2-7-23-14;17-16(18,19)13-12(11-5-7-21-14(22-11)9-3-4-9)24-15(23-13)10-2-1-6-20-8-10;1-2-20-14(24)23-7-5-10(22-23)11-12(15(16,17)18)21-13(25-11)9-4-3-6-19-8-9;1-2-20-14(24)23-10(5-7-21-23)11-12(15(16,17)18)22-13(25-11)9-4-3-6-19-8-9;15-13(16,17)7-24-5-3-9(23-24)10-11(14(18,19)20)22-12(25-10)8-2-1-4-21-6-8/h1-10H;1-9H;1-2,5-9H,3-4H2;2*3-8H,2H2,1H3,(H,20,24);1-6H,7H2/p+1
InChIKeyULDWNRWUAXTLOT-UHFFFAOYSA-O
XLogP24.84
TPSA383.60 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002234.11
LogP ≤ 524.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-3-[[1-[(5R)-1-(2-cyanoacetyl)-5-[[1-[(5R)-1-(2-cyanoacetyl)-5-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-3-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-3-yl]-5-[1-(difluoromethyl)pyrazol-3-yl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 155258748
tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;5-methyl-1,3-thiazol-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 158565640
N-[4-[4-(3,3-difluoropiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;N-[4-[4-(3,3-difluoropyrrolidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;N-[4-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 158969693
tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 160308173
tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;bis(4,5-dimethyl-1,3-thiazol-2-amine);N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;4-methylthiophen-2-amine;5-methylthiophen-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 161831359
4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 173006361
bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 157075524
ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene
CID 157090702
(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 157190014
2,5-dimethyl-1H-imidazole;2,5-dimethylpyrazine;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole
CID 157382265
2,5-dimethyl-1H-imidazole;bis(2,5-dimethylpyrazine);3,6-dimethylpyridazine;bis(2,5-dimethylpyrimidine);2,5-dimethyl-1,3,4-thiadiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-fluoro-3,6-dimethylpyridine
CID 157395423
cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine
CID 158610025

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 158656881) is 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole is CCNC(=O)n1ccc(-c2sc(-c3cccnc3)nc2C(F)(F)F)n1.CCNC(=O)n1nccc1-c1sc(-c2ccc[nH+]c2)nc1C(F)(F)F.FC(F)(F)Cn1ccc(-c2sc(-c3cccnc3)nc2C(F)(F)F)n1.FC(F)(F)c1nc(-c2cccnc2)sc1-c1ccnc(-c2ccccn2)n1.FC(F)(F)c1nc(-c2cccnc2)sc1-c1ccnc(-c2ncccn2)n1.FC(F)(F)c1nc(-c2cccnc2)sc1-c1ccnc(C2CC2)n1.
What is the InChIKey of 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ULDWNRWUAXTLOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H10F3N5S.C17H9F3N6S.C16H11F3N4S.2C15H12F3N5OS.C14H8F6N4S/c19-18(20,21)15-14(27-17(26-15)11-4-3-7-22-10-11)12-6-9-24-16(25-12)13-5-1-2-8-23-13;18-17(19,20)13-12(27-16(26-13)10-3-1-5-21-9-10)11-4-8-24-15(25-11)14-22-6-2-7-23-14;17-16(18,19)13-12(11-5-7-21-14(22-11)9-3-4-9)24-15(23-13)10-2-1-6-20-8-10;1-2-20-14(24)23-7-5-10(22-23)11-12(15(16,17)18)21-13(25-11)9-4-3-6-19-8-9;1-2-20-14(24)23-10(5-7-21-23)11-12(15(16,17)18)22-13(25-11)9-4-3-6-19-8-9;15-13(16,17)7-24-5-3-9(23-24)10-11(14(18,19)20)22-12(25-10)8-2-1-4-21-6-8/h1-10H;1-9H;1-2,5-9H,3-4H2;2*3-8H,2H2,1H3,(H,20,24);1-6H,7H2/p+1.
What are the key properties of 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 2234.11 g/mol, XLogP of 24.84, 18 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylpyrimidin-4-yl)-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;N-ethyl-5-[2-pyridin-1-ium-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;N-ethyl-3-[2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrazole-1-carboxamide;2-pyridin-3-yl-5-(2-pyridin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-(2-pyrimidin-2-ylpyrimidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole;2-pyridin-3-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 158656881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).