5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid

C16H18N2O3S2 — CID 122110540

IUPAC5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C16H18N2O3S2/c1-9-13(23-15(18-9)10-4-2-3-5-10)14(19)17-8-11-6-7-12(22-11)16(20)21/h6-7,10H,2-5,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyTVTDWCQKTOUPNR-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.80
Rot. Bonds5

About 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid

5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110540) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110540
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCc1nc(C2CCCC2)sc1C(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C16H18N2O3S2/c1-9-13(23-15(18-9)10-4-2-3-5-10)14(19)17-8-11-6-7-12(22-11)16(20)21/h6-7,10H,2-5,8H2,1H3,(H,17,19)(H,20,21)
InChIKeyTVTDWCQKTOUPNR-UHFFFAOYSA-N
XLogP3.80
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid (CID 122110540) is 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid is Cc1nc(C2CCCC2)sc1C(=O)NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is TVTDWCQKTOUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-9-13(23-15(18-9)10-4-2-3-5-10)14(19)17-8-11-6-7-12(22-11)16(20)21/h6-7,10H,2-5,8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 350.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).