4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline

C64H40ClF12N15O3S2 — CID 161071807

IUPAC4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1-c1nc2cccnc2o1.Nc1ccc(C(F)(F)F)cc1-c1nc2cccnc2s1.Nc1ccc(C(F)(F)F)cc1-c1nc2cnccc2o1.Nc1ccc(C(F)(F)F)cc1-c1nc2ncccc2o1.Nc1ccc(Cl)cc1-c1nc2cccnc2s1
InChIInChI=1S/3C13H8F3N3O.C13H8F3N3S.C12H8ClN3S/c14-13(15,16)7-1-2-9(17)8(5-7)12-19-10-6-18-4-3-11(10)20-12;14-13(15,16)7-3-4-9(17)8(6-7)12-19-11-10(20-12)2-1-5-18-11;2*14-13(15,16)7-3-4-9(17)8(6-7)11-19-10-2-1-5-18-12(10)20-11;13-7-3-4-9(14)8(6-7)11-16-10-2-1-5-15-12(10)17-11/h4*1-6H,17H2;1-6H,14H2
InChIKeyUETIVEMXYOWHCD-UHFFFAOYSA-N
MW1394.69 g/mol
LogP18.03
Rot. Bonds5

About 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline

4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline (PubChem CID 161071807) has the molecular formula C64H40ClF12N15O3S2 and a molecular weight of 1394.69 g/mol. Its IUPAC name is 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline
PubChem CID161071807
Molecular FormulaC64H40ClF12N15O3S2
Molecular Weight1394.69 g/mol
Exact Mass1393.24
IUPAC Name4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)cc1-c1nc2cccnc2o1.Nc1ccc(C(F)(F)F)cc1-c1nc2cccnc2s1.Nc1ccc(C(F)(F)F)cc1-c1nc2cnccc2o1.Nc1ccc(C(F)(F)F)cc1-c1nc2ncccc2o1.Nc1ccc(Cl)cc1-c1nc2cccnc2s1
InChIInChI=1S/3C13H8F3N3O.C13H8F3N3S.C12H8ClN3S/c14-13(15,16)7-1-2-9(17)8(5-7)12-19-10-6-18-4-3-11(10)20-12;14-13(15,16)7-3-4-9(17)8(6-7)12-19-11-10(20-12)2-1-5-18-11;2*14-13(15,16)7-3-4-9(17)8(6-7)11-19-10-2-1-5-18-12(10)20-11;13-7-3-4-9(14)8(6-7)11-16-10-2-1-5-15-12(10)17-11/h4*1-6H,17H2;1-6H,14H2
InChIKeyUETIVEMXYOWHCD-UHFFFAOYSA-N
XLogP18.03
TPSA298.42 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds5
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.69
LogP ≤ 518.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline with MolForge

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Related Compounds

N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-(1,1-difluoroethyl)-1,3-thiazol-2-amine;N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine
CID 157072897
4-Chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol
CID 158439879
3-(1,3-benzoxazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one;3-(5,6-difluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1-methylbenzimidazol-2-yl)propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1,3-thiazol-5-yl)propan-1-one;[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 160394205
4-Chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenol;4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)phenol;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)phenol
CID 160621191
4-Chloro-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;4-chloro-2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)aniline
CID 160728206
1-[2-(1H-benzimidazol-2-yl)acetyl]-5,5-difluoro-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1-benzofuran-2-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-4-ylbenzoyl)piperidine-3-carboxamide;1-(3H-indole-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 161086765
4-Chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline
CID 162163881
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157179671
CID 157420701
CID 157420701
4,12-Bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-oxa-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,11-bis(9-phenylcarbazol-3-yl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 157509913
6-(1H-imidazo[4,5-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-([1,3]oxazolo[5,4-b]pyridin-2-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-phenyl-6-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-1,8-naphthyridin-4-one;7-phenyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-1,8-naphthyridin-4-one;7-phenyl-6-(1,2,3,4-tetrahydroquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-phenyl-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-1,8-naphthyridin-4-one
CID 157615898
CID 157645493
CID 157645493

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline (CID 161071807) is 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)cc1-c1nc2cccnc2o1.Nc1ccc(C(F)(F)F)cc1-c1nc2cccnc2s1.Nc1ccc(C(F)(F)F)cc1-c1nc2cnccc2o1.Nc1ccc(C(F)(F)F)cc1-c1nc2ncccc2o1.Nc1ccc(Cl)cc1-c1nc2cccnc2s1.
What is the InChIKey of 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline?
The InChIKey is UETIVEMXYOWHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H8F3N3O.C13H8F3N3S.C12H8ClN3S/c14-13(15,16)7-1-2-9(17)8(5-7)12-19-10-6-18-4-3-11(10)20-12;14-13(15,16)7-3-4-9(17)8(6-7)12-19-11-10(20-12)2-1-5-18-11;2*14-13(15,16)7-3-4-9(17)8(6-7)11-19-10-2-1-5-18-12(10)20-11;13-7-3-4-9(14)8(6-7)11-16-10-2-1-5-15-12(10)17-11/h4*1-6H,17H2;1-6H,14H2.
What are the key properties of 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline?
4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline has a molecular weight of 1394.69 g/mol, XLogP of 18.03, 5 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 161071807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).