N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C16H11F2N3OS — CID 1483722

IUPACN-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H11F2N3OS/c1-9-14(23-16(20-9)10-3-2-6-19-8-10)15(22)21-13-5-4-11(17)7-12(13)18/h2-8H,1H3,(H,21,22)
InChIKeyCXYUQSSFXNKODV-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.04
Rot. Bonds3

About N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 1483722) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID1483722
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H11F2N3OS/c1-9-14(23-16(20-9)10-3-2-6-19-8-10)15(22)21-13-5-4-11(17)7-12(13)18/h2-8H,1H3,(H,21,22)
InChIKeyCXYUQSSFXNKODV-UHFFFAOYSA-N
XLogP4.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-7-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 10126343
4-Amino-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10171950
4-Phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10193998
3-[2-(Pyridin-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10236551
4-Amino-6-(piperidin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10237718
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308461
6-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308615
(S)-5-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 44199470
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 668683
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 1483722) is N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CXYUQSSFXNKODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c1-9-14(23-16(20-9)10-3-2-6-19-8-10)15(22)21-13-5-4-11(17)7-12(13)18/h2-8H,1H3,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1483722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).