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

C12H10FN3O2S — CID 39887128

IUPAC2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C12H10FN3O2S/c1-7(17)14-12-16-10(6-19-12)11(18)15-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,15,18)(H,14,16,17)
InChIKeyWPDCBZDUBPBIOX-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.49
Rot. Bonds3

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

2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 39887128) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID39887128
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC Name2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C12H10FN3O2S/c1-7(17)14-12-16-10(6-19-12)11(18)15-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,15,18)(H,14,16,17)
InChIKeyWPDCBZDUBPBIOX-UHFFFAOYSA-N
XLogP2.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
{2-[(4-Methylphenyl)amino]-1,3-thiazol-4-yl}(4-methylpiperidin-1-yl)methanone
CID 1096815
2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10408130
2-(Phenylamino)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 24779781
2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967393
N1-phenyl-2-[(2-methyl-1,3-thiazol-4-yl)carbonyl]hydrazine-1-carboxamide
CID 2744059
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid phenylamide
CID 857259
2-(2-Amino-phenylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 651106
2-p-Tolylamino-thiazole-4-carboxylic acid diethylamide
CID 654109
N-(4-methylthiazol-2-yl)-2-((2-oxo-2-(phenylamino)ethyl)thio)acetamide
CID 935327
2-({[4-(2-fluorophenyl)-1-piperazinyl]acetyl}amino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 6465336
3-{2-[N-(2-fluorophenyl)acetamido]-1,3-thiazol-4-yl}prop-2-enoic acid
CID 7363990

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 39887128) is 2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2ccc(F)cc2)cs1.
What is the InChIKey of 2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WPDCBZDUBPBIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c1-7(17)14-12-16-10(6-19-12)11(18)15-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,15,18)(H,14,16,17).
What are the key properties of 2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39887128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).