2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

C11H9FN4O2S — CID 16949036

IUPAC2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN4O2S/c12-6-1-3-7(4-2-6)14-10(18)16-11-15-8(5-19-11)9(13)17/h1-5H,(H2,13,17)(H2,14,15,16,18)
InChIKeyWCOVWXFJRFDQFZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.03
Rot. Bonds3

About 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 16949036) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID16949036
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC Name2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN4O2S/c12-6-1-3-7(4-2-6)14-10(18)16-11-15-8(5-19-11)9(13)17/h1-5H,(H2,13,17)(H2,14,15,16,18)
InChIKeyWCOVWXFJRFDQFZ-UHFFFAOYSA-N
XLogP2.03
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948969
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
2-[(4-fluorophenyl)carbamoylamino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16948948
2-[(4-fluorophenyl)carbamoylamino]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 41015660
2-[(4-fluorophenyl)carbamoylamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 41015661
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-1,3-thiazole-4-carboxylate
CID 23613697
2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
1-(4-fluorophenyl)-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]urea
CID 16821081
ethyl 4-[[2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 41211886

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (CID 16949036) is 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(NC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is WCOVWXFJRFDQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2S/c12-6-1-3-7(4-2-6)14-10(18)16-11-15-8(5-19-11)9(13)17/h1-5H,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16949036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).