2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide

C60H43F6N13O3S3 — CID 159126154

IUPAC2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cnc(-c2cc(-c3ccccc3F)nn2C)s1.Cn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C20H13F3N4OS.C20H14F2N4OS.C20H16FN5OS/c1-27-16(9-15(26-27)11-5-2-3-6-12(11)21)20-24-10-17(29-20)25-19(28)18-13(22)7-4-8-14(18)23;1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)20-23-11-18(28-20)24-19(27)13-7-3-5-9-15(13)22;1-12-6-5-9-22-18(12)19(27)24-17-11-23-20(28-17)16-10-15(25-26(16)2)13-7-3-4-8-14(13)21/h2-10H,1H3,(H,25,28);2-11H,1H3,(H,24,27);3-11H,1-2H3,(H,24,27)
InChIKeyKGHLQJVJUGQOBM-UHFFFAOYSA-N
MW1204.28 g/mol
LogP13.93
Rot. Bonds12

About 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide

2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide (PubChem CID 159126154) has the molecular formula C60H43F6N13O3S3 and a molecular weight of 1204.28 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide
PubChem CID159126154
Molecular FormulaC60H43F6N13O3S3
Molecular Weight1204.28 g/mol
Exact Mass1203.27
IUPAC Name2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1cnc(-c2cc(-c3ccccc3F)nn2C)s1.Cn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C20H13F3N4OS.C20H14F2N4OS.C20H16FN5OS/c1-27-16(9-15(26-27)11-5-2-3-6-12(11)21)20-24-10-17(29-20)25-19(28)18-13(22)7-4-8-14(18)23;1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)20-23-11-18(28-20)24-19(27)13-7-3-5-9-15(13)22;1-12-6-5-9-22-18(12)19(27)24-17-11-23-20(28-17)16-10-15(25-26(16)2)13-7-3-4-8-14(13)21/h2-10H,1H3,(H,25,28);2-11H,1H3,(H,24,27);3-11H,1-2H3,(H,24,27)
InChIKeyKGHLQJVJUGQOBM-UHFFFAOYSA-N
XLogP13.93
TPSA192.32 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001204.28
LogP ≤ 513.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide 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

2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062245
2,6-difluoro-N-[2-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062246
2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062247
2-fluoro-N-[2-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
CID 68062248
N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide
CID 68062249
3,5-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
CID 118227494
3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
CID 118227495
2-[3-[amino-[2-[[3-[[2-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-4-fluorophenyl]-(cyclopropylmethylamino)methyl]-1,3-thiazol-5-yl]methyl]phenyl]-N-[3-[(3-aminophenyl)-(cyclopropylmethylamino)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 155107536
N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;N-[(5-fluoro-2-methylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-methyl-N-(2-methylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 157148389
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide
CID 157217256
[(4aS,6S)-6-[2-fluoroethyl-[methylidene-(1-methylpyrazol-4-yl)-oxo-lambda6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(5-methyl-1,3-thiazol-2-yl)methanone;[(4aS,6S)-6-[2-fluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-lambda6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-methyl-2-pyridinyl)methanone;[(4aS,6S)-6-[2-fluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-lambda6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
CID 157782158
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-piperidin-1-ylthiophene-2-carboxamide
CID 158189634

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide (CID 159126154) is 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1cnc(-c2cc(-c3ccccc3F)nn2C)s1.Cn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is KGHLQJVJUGQOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4OS.C20H14F2N4OS.C20H16FN5OS/c1-27-16(9-15(26-27)11-5-2-3-6-12(11)21)20-24-10-17(29-20)25-19(28)18-13(22)7-4-8-14(18)23;1-26-17(10-16(25-26)12-6-2-4-8-14(12)21)20-23-11-18(28-20)24-19(27)13-7-3-5-9-15(13)22;1-12-6-5-9-22-18(12)19(27)24-17-11-23-20(28-17)16-10-15(25-26(16)2)13-7-3-4-8-14(13)21/h2-10H,1H3,(H,25,28);2-11H,1H3,(H,24,27);3-11H,1-2H3,(H,24,27).
What are the key properties of 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide?
2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 1204.28 g/mol, XLogP of 13.93, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 159126154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).