2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C14H14FN3O2S — CID 16916129

IUPAC2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C14H14FN3O2S/c1-8(2)16-13(20)11-7-21-14(17-11)18-12(19)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H,16,20)(H,17,18,19)
InChIKeySTONHLJIKASBBB-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.67
Rot. Bonds4

About 2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 16916129) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID16916129
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C14H14FN3O2S/c1-8(2)16-13(20)11-7-21-14(17-11)18-12(19)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H,16,20)(H,17,18,19)
InChIKeySTONHLJIKASBBB-UHFFFAOYSA-N
XLogP2.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46113536
3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 39162541
2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46113517
2-[1-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380008
3-fluoro-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 9100757
2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 118603833
3-fluoro-N-[4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 46172387
(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079830
2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970334
N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113871
methyl 2-[(3-fluorobenzoyl)amino]-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17064913
2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 110474421

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 16916129) is 2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(NC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is STONHLJIKASBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-8(2)16-13(20)11-7-21-14(17-11)18-12(19)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16916129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).