2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

C16H12FN3O2S2 — CID 16916583

IUPAC2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1csc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C16H12FN3O2S2/c17-12-6-2-1-5-11(12)14(21)20-16-19-13(9-24-16)15(22)18-8-10-4-3-7-23-10/h1-7,9H,8H2,(H,18,22)(H,19,20,21)
InChIKeyJZVPVQCKELWNEF-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.53
Rot. Bonds5

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

2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 16916583) has the molecular formula C16H12FN3O2S2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID16916583
Molecular FormulaC16H12FN3O2S2
Molecular Weight361.42 g/mol
Exact Mass361.04
IUPAC Name2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1csc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C16H12FN3O2S2/c17-12-6-2-1-5-11(12)14(21)20-16-19-13(9-24-16)15(22)18-8-10-4-3-7-23-10/h1-7,9H,8H2,(H,18,22)(H,19,20,21)
InChIKeyJZVPVQCKELWNEF-UHFFFAOYSA-N
XLogP3.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46114215
2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 3156882
2-[(2-fluorobenzoyl)amino]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46114246
2-fluoro-N-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114250
2-[(2-fluorobenzoyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 46114255
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46172645
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
2-(1-aminoethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3832023
3-[[2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 39175981
N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114198

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 16916583) is 2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cccs1)c1csc(NC(=O)c2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JZVPVQCKELWNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S2/c17-12-6-2-1-5-11(12)14(21)20-16-19-13(9-24-16)15(22)18-8-10-4-3-7-23-10/h1-7,9H,8H2,(H,18,22)(H,19,20,21).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16916583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).