2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C22H21F3N4O2S — CID 143748412

IUPAC2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1(c2cccnc2)CCCCC1)c1sc(-c2ccc(=O)[nH]c2)nc1C(F)(F)F
InChIInChI=1S/C22H21F3N4O2S/c23-22(24,25)18-17(32-20(29-18)14-6-7-16(30)27-11-14)19(31)28-13-21(8-2-1-3-9-21)15-5-4-10-26-12-15/h4-7,10-12H,1-3,8-9,13H2,(H,27,30)(H,28,31)
InChIKeyDRVPQGZXXXIXIG-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.54
Rot. Bonds5

About 2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 143748412) has the molecular formula C22H21F3N4O2S and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID143748412
Molecular FormulaC22H21F3N4O2S
Molecular Weight462.50 g/mol
Exact Mass462.13
IUPAC Name2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1(c2cccnc2)CCCCC1)c1sc(-c2ccc(=O)[nH]c2)nc1C(F)(F)F
InChIInChI=1S/C22H21F3N4O2S/c23-22(24,25)18-17(32-20(29-18)14-6-7-16(30)27-11-14)19(31)28-13-21(8-2-1-3-9-21)15-5-4-10-26-12-15/h4-7,10-12H,1-3,8-9,13H2,(H,27,30)(H,28,31)
InChIKeyDRVPQGZXXXIXIG-UHFFFAOYSA-N
XLogP4.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dihydroxythiazinan-2-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 68767827
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 59580013
N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 70862771
6-methyl-N-[(1-pyridin-3-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 110483045
4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 143748401
3-chloro-N-[(1-pyridin-3-ylcyclohexyl)methyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide
CID 59579878
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
CID 14977528
2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 80522632
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 60573524
N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291
2-(dimethylamino)-N-[(1-pyridin-3-ylcyclopropyl)methyl]acetamide
CID 110479717

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 143748412) is 2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(NCC1(c2cccnc2)CCCCC1)c1sc(-c2ccc(=O)[nH]c2)nc1C(F)(F)F.
What is the InChIKey of 2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DRVPQGZXXXIXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2S/c23-22(24,25)18-17(32-20(29-18)14-6-7-16(30)27-11-14)19(31)28-13-21(8-2-1-3-9-21)15-5-4-10-26-12-15/h4-7,10-12H,1-3,8-9,13H2,(H,27,30)(H,28,31).
What are the key properties of 2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143748412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).