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

C11H10N2O4S2 — CID 66166847

IUPAC2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESO=C(NCC(O)C(=O)O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H10N2O4S2/c14-8(11(16)17)3-12-9(15)7-5-19-10(13-7)6-1-2-18-4-6/h1-2,4-5,8,14H,3H2,(H,12,15)(H,16,17)
InChIKeyFCFWTZUSHKGPFO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.05
Rot. Bonds5

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

2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 66166847) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID66166847
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESO=C(NCC(O)C(=O)O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H10N2O4S2/c14-8(11(16)17)3-12-9(15)7-5-19-10(13-7)6-1-2-18-4-6/h1-2,4-5,8,14H,3H2,(H,12,15)(H,16,17)
InChIKeyFCFWTZUSHKGPFO-UHFFFAOYSA-N
XLogP1.05
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66107326
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43357798
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 114006424
N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103877534
(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835842
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 51238548
N-(1H-pyrrol-3-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 106385182

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid (CID 66166847) is 2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid is O=C(NCC(O)C(=O)O)c1csc(-c2ccsc2)n1.
What is the InChIKey of 2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is FCFWTZUSHKGPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-8(11(16)17)3-12-9(15)7-5-19-10(13-7)6-1-2-18-4-6/h1-2,4-5,8,14H,3H2,(H,12,15)(H,16,17).
What are the key properties of 2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 298.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66166847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).