2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride

C85H99Cl2N25O3S9 — CID 160902315

IUPAC2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride
SMILESCCn1ccc(CSc2nc(C)cc(C)n2)c1.Cc1cc(=O)[nH]c(SCc2ccc3c(c2)nnn3C)n1.Cc1cc(=O)[nH]c(SCc2scnc2Cl)n1.Cc1cc(C)n(CSc2nc(C)cc(C)n2)c1.Cc1cc(C)nc(SCc2cnc(C)n2C)n1.Cc1cc(C)nc(SCc2csc(C)n2)n1.Cc1ccn2c(CSc3nc(C)cc(=O)[nH]3)cnc2c1.Cl
InChIInChI=1S/C14H14N4OS.C13H13N5OS.2C13H17N3S.C12H16N4S.C11H13N3S2.C9H8ClN3OS2.ClH/c1-9-3-4-18-11(7-15-12(18)5-9)8-20-14-16-10(2)6-13(19)17-14;1-8-5-12(19)15-13(14-8)20-7-9-3-4-11-10(6-9)16-17-18(11)2;1-9-5-12(4)16(7-9)8-17-13-14-10(2)6-11(3)15-13;1-4-16-6-5-12(8-16)9-17-13-14-10(2)7-11(3)15-13;1-8-5-9(2)15-12(14-8)17-7-11-6-13-10(3)16(11)4;1-7-4-8(2)13-11(12-7)16-6-10-5-15-9(3)14-10;1-5-2-7(14)13-9(12-5)15-3-6-8(10)11-4-16-6;/h3-7H,8H2,1-2H3,(H,16,17,19);3-6H,7H2,1-2H3,(H,14,15,19);5-7H,8H2,1-4H3;5-8H,4,9H2,1-3H3;5-6H,7H2,1-4H3;4-5H,6H2,1-3H3;2,4H,3H2,1H3,(H,12,13,14);1H
InChIKeyBVWMHNWRCJWZCQ-UHFFFAOYSA-N
MW1878.41 g/mol
LogP18.93
Rot. Bonds22

About 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride

2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride (PubChem CID 160902315) has the molecular formula C85H99Cl2N25O3S9 and a molecular weight of 1878.41 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride
PubChem CID160902315
Molecular FormulaC85H99Cl2N25O3S9
Molecular Weight1878.41 g/mol
Exact Mass1875.52
IUPAC Name2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride
SMILESCCn1ccc(CSc2nc(C)cc(C)n2)c1.Cc1cc(=O)[nH]c(SCc2ccc3c(c2)nnn3C)n1.Cc1cc(=O)[nH]c(SCc2scnc2Cl)n1.Cc1cc(C)n(CSc2nc(C)cc(C)n2)c1.Cc1cc(C)nc(SCc2cnc(C)n2C)n1.Cc1cc(C)nc(SCc2csc(C)n2)n1.Cc1ccn2c(CSc3nc(C)cc(=O)[nH]3)cnc2c1.Cl
InChIInChI=1S/C14H14N4OS.C13H13N5OS.2C13H17N3S.C12H16N4S.C11H13N3S2.C9H8ClN3OS2.ClH/c1-9-3-4-18-11(7-15-12(18)5-9)8-20-14-16-10(2)6-13(19)17-14;1-8-5-12(19)15-13(14-8)20-7-9-3-4-11-10(6-9)16-17-18(11)2;1-9-5-12(4)16(7-9)8-17-13-14-10(2)6-11(3)15-13;1-4-16-6-5-12(8-16)9-17-13-14-10(2)7-11(3)15-13;1-8-5-9(2)15-12(14-8)17-7-11-6-13-10(3)16(11)4;1-7-4-8(2)13-11(12-7)16-6-10-5-15-9(3)14-10;1-5-2-7(14)13-9(12-5)15-3-6-8(10)11-4-16-6;/h3-7H,8H2,1-2H3,(H,16,17,19);3-6H,7H2,1-2H3,(H,14,15,19);5-7H,8H2,1-4H3;5-8H,4,9H2,1-3H3;5-6H,7H2,1-4H3;4-5H,6H2,1-3H3;2,4H,3H2,1H3,(H,12,13,14);1H
InChIKeyBVWMHNWRCJWZCQ-UHFFFAOYSA-N
XLogP18.93
TPSA341.84 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds22
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001878.41
LogP ≤ 518.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride with MolForge

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Related Compounds

(3R)-N-[5-chloro-4-[1-(1,3-thiazol-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]-1-[(3R)-3-[[5-chloro-4-[3-(1,3-thiazol-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]carbamoyl]piperidin-1-yl]piperidine-3-carboxamide
CID 90414256
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,4-dichloro-3-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethylimidazol-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(6-methyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-pyridin-3-yl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 157267596
6-[5-(1-Methylpyrazol-3-yl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-(6-methyl-2-pyridinyl)indol-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;6-[2-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157722407
4-(Benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole
CID 158285967
N-(2-aminophenyl)-5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;1-[5-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone;1-[5-[[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone;1-[5-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophen-2-yl]-2-(2-methyl-3-pyridinyl)ethanone
CID 158296685
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 159107108
2-[(5-chloro-1-methylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(1-ethyl-5-methylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3-ethyl-5-methylimidazol-4-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(5-methyl-3-propan-2-ylimidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;pentahydrochloride
CID 159507557
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 160348804
6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methyl-2-pyridinyl)cyclohexen-1-yl]imidazo[1,2-a]pyridine-3-carboxamide;tris(6-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide);5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]pyrazolo[1,5-a]pyridine-3-carboxamide;7-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]quinoxaline-2-carboxamide;6-[(Z)-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 160909042
N-(2-aminophenyl)-4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;4-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[4-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;1-[3-[[4-(5-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one;1-[3-[[4-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]propan-1-one
CID 161214585
2-(2-Methyl-1,3-benzothiazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrido[1,2-a]pyrimidin-4-one;7-(4-methylpiperazin-1-yl)-2-(6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 161384701
7-Methyl-1,3-dihydroimidazo[4,5-c]pyridin-2-one;3-methylimidazo[1,2-a]pyrimidine;7-methylimidazo[1,2-b][1,2,4]triazine;1-methylimidazole;1-methylisoquinoline;1-methylpyridin-2-one;5-methylquinoline;5-methylquinoxaline;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 161408082

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride (CID 160902315) is 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride is CCn1ccc(CSc2nc(C)cc(C)n2)c1.Cc1cc(=O)[nH]c(SCc2ccc3c(c2)nnn3C)n1.Cc1cc(=O)[nH]c(SCc2scnc2Cl)n1.Cc1cc(C)n(CSc2nc(C)cc(C)n2)c1.Cc1cc(C)nc(SCc2cnc(C)n2C)n1.Cc1cc(C)nc(SCc2csc(C)n2)n1.Cc1ccn2c(CSc3nc(C)cc(=O)[nH]3)cnc2c1.Cl.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is BVWMHNWRCJWZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS.C13H13N5OS.2C13H17N3S.C12H16N4S.C11H13N3S2.C9H8ClN3OS2.ClH/c1-9-3-4-18-11(7-15-12(18)5-9)8-20-14-16-10(2)6-13(19)17-14;1-8-5-12(19)15-13(14-8)20-7-9-3-4-11-10(6-9)16-17-18(11)2;1-9-5-12(4)16(7-9)8-17-13-14-10(2)6-11(3)15-13;1-4-16-6-5-12(8-16)9-17-13-14-10(2)7-11(3)15-13;1-8-5-9(2)15-12(14-8)17-7-11-6-13-10(3)16(11)4;1-7-4-8(2)13-11(12-7)16-6-10-5-15-9(3)14-10;1-5-2-7(14)13-9(12-5)15-3-6-8(10)11-4-16-6;/h3-7H,8H2,1-2H3,(H,16,17,19);3-6H,7H2,1-2H3,(H,14,15,19);5-7H,8H2,1-4H3;5-8H,4,9H2,1-3H3;5-6H,7H2,1-4H3;4-5H,6H2,1-3H3;2,4H,3H2,1H3,(H,12,13,14);1H.
What are the key properties of 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride?
2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 1878.41 g/mol, XLogP of 18.93, 22 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-5-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(2,3-dimethylimidazol-4-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole;2-[(2,4-dimethylpyrrol-1-yl)methylsulfanyl]-4,6-dimethylpyrimidine;2-[(1-ethylpyrrol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine;4-methyl-2-[(1-methylbenzotriazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 160902315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).