2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid

C16H11FN2O3S2 — CID 46184119

IUPAC2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid
SMILESCc1csc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)n1
InChIInChI=1S/C16H11FN2O3S2/c1-8-6-23-14(18-8)11-7-24-15(12(11)16(21)22)19-13(20)9-3-2-4-10(17)5-9/h2-7H,1H3,(H,19,20)(H,21,22)
InChIKeyYXYRQJJGVVFTSH-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.27
Rot. Bonds4

About 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid

2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid (PubChem CID 46184119) has the molecular formula C16H11FN2O3S2 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid
PubChem CID46184119
Molecular FormulaC16H11FN2O3S2
Molecular Weight362.41 g/mol
Exact Mass362.02
IUPAC Name2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid
SMILESCc1csc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)n1
InChIInChI=1S/C16H11FN2O3S2/c1-8-6-23-14(18-8)11-7-24-15(12(11)16(21)22)19-13(20)9-3-2-4-10(17)5-9/h2-7H,1H3,(H,19,20)(H,21,22)
InChIKeyYXYRQJJGVVFTSH-UHFFFAOYSA-N
XLogP4.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid (CID 46184119) is 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid is Cc1csc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)n1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid?
The InChIKey is YXYRQJJGVVFTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3S2/c1-8-6-23-14(18-8)11-7-24-15(12(11)16(21)22)19-13(20)9-3-2-4-10(17)5-9/h2-7H,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid?
2-[(3-fluorobenzoyl)amino]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 4.27, 4 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-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 46184119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).