1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid

C34H20F6N8O3S4 — CID 162127143

IUPAC1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
SMILESNc1nccs1.O=C(Nc1nccs1)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12.O=C(O)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H9F3N4OS2.C14H7F3N2O2S.C3H4N2S/c18-17(19,20)10-3-1-2-9(8-10)14-23-12-11(4-5-21-15(12)27-14)13(25)24-16-22-6-7-26-16;15-14(16,17)8-3-1-2-7(6-8)11-19-10-9(13(20)21)4-5-18-12(10)22-11;4-3-5-1-2-6-3/h1-8H,(H,22,24,25);1-6H,(H,20,21);1-2H,(H2,4,5)
InChIKeyZIEKPTWKFNWIBC-UHFFFAOYSA-N
MW830.84 g/mol
LogP9.89
Rot. Bonds5

About 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid

1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid (PubChem CID 162127143) has the molecular formula C34H20F6N8O3S4 and a molecular weight of 830.84 g/mol. Its IUPAC name is 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
PubChem CID162127143
Molecular FormulaC34H20F6N8O3S4
Molecular Weight830.84 g/mol
Exact Mass830.04
IUPAC Name1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
SMILESNc1nccs1.O=C(Nc1nccs1)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12.O=C(O)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H9F3N4OS2.C14H7F3N2O2S.C3H4N2S/c18-17(19,20)10-3-1-2-9(8-10)14-23-12-11(4-5-21-15(12)27-14)13(25)24-16-22-6-7-26-16;15-14(16,17)8-3-1-2-7(6-8)11-19-10-9(13(20)21)4-5-18-12(10)22-11;4-3-5-1-2-6-3/h1-8H,(H,22,24,25);1-6H,(H,20,21);1-2H,(H2,4,5)
InChIKeyZIEKPTWKFNWIBC-UHFFFAOYSA-N
XLogP9.89
TPSA169.76 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.84
LogP ≤ 59.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid with MolForge

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Related Compounds

N-(thiazol-2-yl)-2-(3-(trifluoromethyl)phenyl)thiazolo[5,4-b]pyridine-7-carboxamide
CID 86664560
1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 157810168
1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-benzothiazole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1,3-benzothiazole-4-carboxylic acid
CID 159588057
1-[3-[7-[2-(1,3-Thiazol-2-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 161939210
4-(1,3-Benzothiazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-amine;2-[[4-(1,3-benzothiazol-2-yl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 167627488
benzoic acid;methane;6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 159003782
2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine
CID 159379018
benzoic acid;6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 160864417
(2S)-2-amino-4-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]butanamide;methane;N-[(2S)-4-methylsulfanyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]butan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide;1-methylsulfonylpyrrole-3-carboxylic acid;molecular hydrogen;chloride
CID 163556546
(2S)-2-amino-4-methylsulfanyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]butanamide;methane;N-[(2S)-4-methylsulfanyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]butan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide;1-methylsulfonylpyrrole-3-carboxylic acid;molecular hydrogen;chloride
CID 163889459

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid?
The IUPAC name of 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid (CID 162127143) is 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid?
The canonical SMILES for 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid is Nc1nccs1.O=C(Nc1nccs1)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12.O=C(O)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid?
The InChIKey is ZIEKPTWKFNWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4OS2.C14H7F3N2O2S.C3H4N2S/c18-17(19,20)10-3-1-2-9(8-10)14-23-12-11(4-5-21-15(12)27-14)13(25)24-16-22-6-7-26-16;15-14(16,17)8-3-1-2-7(6-8)11-19-10-9(13(20)21)4-5-18-12(10)22-11;4-3-5-1-2-6-3/h1-8H,(H,22,24,25);1-6H,(H,20,21);1-2H,(H2,4,5).
What are the key properties of 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid?
1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid has a molecular weight of 830.84 g/mol, XLogP of 9.89, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 162127143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).