2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

C13H11FN2O4S — CID 94970466

IUPAC2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(NC(=O)c2cccc(F)c2)sc1C(=O)O
InChIInChI=1S/C13H11FN2O4S/c1-20-6-9-10(12(18)19)21-13(15-9)16-11(17)7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyTYZMNWCGWRCELC-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.38
Rot. Bonds5

About 2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 94970466) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID94970466
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(NC(=O)c2cccc(F)c2)sc1C(=O)O
InChIInChI=1S/C13H11FN2O4S/c1-20-6-9-10(12(18)19)21-13(15-9)16-11(17)7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyTYZMNWCGWRCELC-UHFFFAOYSA-N
XLogP2.38
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970334
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
ethyl 2-amino-3-[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]-3-oxopropanoate
CID 89313136
4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226605
ethyl 2-[[2-[(3-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]acetate
CID 3193169
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238
4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970415
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346
3-fluoro-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 9100757

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 94970466) is 2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(NC(=O)c2cccc(F)c2)sc1C(=O)O.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is TYZMNWCGWRCELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-20-6-9-10(12(18)19)21-13(15-9)16-11(17)7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).