2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid

C10H8N2O3S2 — CID 43354490

IUPAC2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C10H8N2O3S2/c13-8(14)3-11-9(15)7-5-17-10(12-7)6-1-2-16-4-6/h1-2,4-5H,3H2,(H,11,15)(H,13,14)
InChIKeyQRXAIXYJXUJNSZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.69
Rot. Bonds4

About 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid

2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid (PubChem CID 43354490) has the molecular formula C10H8N2O3S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
PubChem CID43354490
Molecular FormulaC10H8N2O3S2
Molecular Weight268.32 g/mol
Exact Mass268.00
IUPAC Name2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C10H8N2O3S2/c13-8(14)3-11-9(15)7-5-17-10(12-7)6-1-2-16-4-6/h1-2,4-5H,3H2,(H,11,15)(H,13,14)
InChIKeyQRXAIXYJXUJNSZ-UHFFFAOYSA-N
XLogP1.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid with MolForge

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Related Compounds

N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 51238548
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
N-(1H-pyrrol-3-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 106385182
N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66107326
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46565546
N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 115764961
3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43357798
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103280451

Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid (CID 43354490) is 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The InChIKey is QRXAIXYJXUJNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S2/c13-8(14)3-11-9(15)7-5-17-10(12-7)6-1-2-16-4-6/h1-2,4-5H,3H2,(H,11,15)(H,13,14).
What are the key properties of 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid has a molecular weight of 268.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 43354490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).