2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

C13H13FN2OS — CID 18097614

IUPAC2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN2OS/c1-8(2)15-12(17)11-7-18-13(16-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17)
InChIKeyPESSQCMOLVJRSQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 18097614) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID18097614
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN2OS/c1-8(2)15-12(17)11-7-18-13(16-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17)
InChIKeyPESSQCMOLVJRSQ-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18229378
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
N-(2-amino-1-cyano-2-oxoethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75455599
N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78835538
2-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99130242
2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 118603833
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824550
2-[2-[[2-(ethylamino)ethylamino]methyl]-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 143320350
2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55865804
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 18097614) is 2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PESSQCMOLVJRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8(2)15-12(17)11-7-18-13(16-11)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17).
What are the key properties of 2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18097614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).