2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide

C26H21ClF3N5O2S — CID 71516254

IUPAC2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide
SMILESO=C(Nc1ccnc2c(Nc3ccc(C(F)(F)F)cc3)nsc12)c1cc(CNC(=O)C2CCC2)ccc1Cl
InChIInChI=1S/C26H21ClF3N5O2S/c27-19-9-4-14(13-32-24(36)15-2-1-3-15)12-18(19)25(37)34-20-10-11-31-21-22(20)38-35-23(21)33-17-7-5-16(6-8-17)26(28,29)30/h4-12,15H,1-3,13H2,(H,32,36)(H,33,35)(H,31,34,37)
InChIKeyCFMHMQRASQMCPW-UHFFFAOYSA-N
MW560.00 g/mol
LogP6.78
Rot. Bonds7

About 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide

2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide (PubChem CID 71516254) has the molecular formula C26H21ClF3N5O2S and a molecular weight of 560.00 g/mol. Its IUPAC name is 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide
PubChem CID71516254
Molecular FormulaC26H21ClF3N5O2S
Molecular Weight560.00 g/mol
Exact Mass559.11
IUPAC Name2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide
SMILESO=C(Nc1ccnc2c(Nc3ccc(C(F)(F)F)cc3)nsc12)c1cc(CNC(=O)C2CCC2)ccc1Cl
InChIInChI=1S/C26H21ClF3N5O2S/c27-19-9-4-14(13-32-24(36)15-2-1-3-15)12-18(19)25(37)34-20-10-11-31-21-22(20)38-35-23(21)33-17-7-5-16(6-8-17)26(28,29)30/h4-12,15H,1-3,13H2,(H,32,36)(H,33,35)(H,31,34,37)
InChIKeyCFMHMQRASQMCPW-UHFFFAOYSA-N
XLogP6.78
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.00
LogP ≤ 56.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide 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

2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[3-(4-methylanilino)-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide
CID 89467432
7-N-[(4-methylphenyl)methyl]-3-N-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-b]pyridine-3,7-diamine
CID 123773503
2-[5-[(cyclobutanecarbonylamino)methyl]-2-(trifluoromethyl)anilino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 56836296
N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387
2-chloro-5-[(cyclopentanecarbonylamino)methyl]-N-[1-[2-methyl-4-(trifluoromethoxy)phenyl]indazol-4-yl]benzamide
CID 168967998
4-[(cyclopentanecarbonylamino)methyl]-N-(4,5-dichloro-2-pyridinyl)benzamide
CID 75468061
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
N-[3-[[[N'-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111420325
5-[(but-2-ynoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968091
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
5-[(butanoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide?
The IUPAC name of 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide (CID 71516254) is 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide.
What is the SMILES notation for 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide?
The canonical SMILES for 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide is O=C(Nc1ccnc2c(Nc3ccc(C(F)(F)F)cc3)nsc12)c1cc(CNC(=O)C2CCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide?
The InChIKey is CFMHMQRASQMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N5O2S/c27-19-9-4-14(13-32-24(36)15-2-1-3-15)12-18(19)25(37)34-20-10-11-31-21-22(20)38-35-23(21)33-17-7-5-16(6-8-17)26(28,29)30/h4-12,15H,1-3,13H2,(H,32,36)(H,33,35)(H,31,34,37).
What are the key properties of 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide?
2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide has a molecular weight of 560.00 g/mol, XLogP of 6.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[3-[4-(trifluoromethyl)anilino]-[1,2]thiazolo[4,5-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 71516254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).