cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide

C21H21F2N3O3S — CID 144524856

IUPACcyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)c1csc(-c2c(F)cccc2F)n1.OC1CCCCC1
InChIInChI=1S/C15H9F2N3O2S.C6H12O/c16-8-2-1-3-9(17)13(8)15-20-11(7-23-15)14(22)19-10-6-18-5-4-12(10)21;7-6-4-2-1-3-5-6/h1-7H,(H,18,21)(H,19,22);6-7H,1-5H2
InChIKeyWSDAQSFVNSUCQJ-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.34
Rot. Bonds3

About cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide

cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 144524856) has the molecular formula C21H21F2N3O3S and a molecular weight of 433.48 g/mol. Its IUPAC name is cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Namecyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID144524856
Molecular FormulaC21H21F2N3O3S
Molecular Weight433.48 g/mol
Exact Mass433.13
IUPAC Namecyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)c1csc(-c2c(F)cccc2F)n1.OC1CCCCC1
InChIInChI=1S/C15H9F2N3O2S.C6H12O/c16-8-2-1-3-9(17)13(8)15-20-11(7-23-15)14(22)19-10-6-18-5-4-12(10)21;7-6-4-2-1-3-5-6/h1-7H,(H,18,21)(H,19,22);6-7H,1-5H2
InChIKeyWSDAQSFVNSUCQJ-UHFFFAOYSA-N
XLogP4.34
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 71261555
N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262741
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119425935
N-[5-(3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 152845077
2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 90286724
N-[1-cyclopropyl-5-[(2R,6R)-6-fluorooxepan-2-yl]pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 144923525
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane
CID 144524844
N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262725
N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 177371019

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide (CID 144524856) is cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1c[nH]ccc1=O)c1csc(-c2c(F)cccc2F)n1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WSDAQSFVNSUCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O2S.C6H12O/c16-8-2-1-3-9(17)13(8)15-20-11(7-23-15)14(22)19-10-6-18-5-4-12(10)21;7-6-4-2-1-3-5-6/h1-7H,(H,18,21)(H,19,22);6-7H,1-5H2.
What are the key properties of cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide?
cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 144524856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).