5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide

C17H11FN4OS — CID 39090613

IUPAC5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1C#N
InChIInChI=1S/C17H11FN4OS/c1-10-12(8-19)4-7-14(20-10)16(23)22-17-21-15(9-24-17)11-2-5-13(18)6-3-11/h2-7,9H,1H3,(H,21,22,23)
InChIKeyFVQDLSHRTNRQMT-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.78
Rot. Bonds3

About 5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide

5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide (PubChem CID 39090613) has the molecular formula C17H11FN4OS and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
PubChem CID39090613
Molecular FormulaC17H11FN4OS
Molecular Weight338.37 g/mol
Exact Mass338.06
IUPAC Name5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1C#N
InChIInChI=1S/C17H11FN4OS/c1-10-12(8-19)4-7-14(20-10)16(23)22-17-21-15(9-24-17)11-2-5-13(18)6-3-11/h2-7,9H,1H3,(H,21,22,23)
InChIKeyFVQDLSHRTNRQMT-UHFFFAOYSA-N
XLogP3.78
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-cyano-6-methylpyridine-2-carboxamide
CID 39090732
5-cyano-6-methyl-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 39088130
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23914746
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide (CID 39090613) is 5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1C#N.
What is the InChIKey of 5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is FVQDLSHRTNRQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS/c1-10-12(8-19)4-7-14(20-10)16(23)22-17-21-15(9-24-17)11-2-5-13(18)6-3-11/h2-7,9H,1H3,(H,21,22,23).
What are the key properties of 5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide?
5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 39090613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).