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

C11H10N2O4S2 — CID 43357798

IUPAC3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H10N2O4S2/c14-3-7(11(16)17)12-9(15)8-5-19-10(13-8)6-1-2-18-4-6/h1-2,4-5,7,14H,3H2,(H,12,15)(H,16,17)
InChIKeyMXYQXYBQLMOBDC-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.05
Rot. Bonds5

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

3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid (PubChem CID 43357798) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
PubChem CID43357798
Molecular FormulaC11H10N2O4S2
Molecular Weight298.34 g/mol
Exact Mass298.01
IUPAC Name3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H10N2O4S2/c14-3-7(11(16)17)12-9(15)8-5-19-10(13-8)6-1-2-18-4-6/h1-2,4-5,7,14H,3H2,(H,12,15)(H,16,17)
InChIKeyMXYQXYBQLMOBDC-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 ≤ 500298.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 61151765
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855
N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 115764961
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357379
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 62788085
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66107326

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid (CID 43357798) is 3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid is O=C(NC(CO)C(=O)O)c1csc(-c2ccsc2)n1.
What is the InChIKey of 3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
The InChIKey is MXYQXYBQLMOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-3-7(11(16)17)12-9(15)8-5-19-10(13-8)6-1-2-18-4-6/h1-2,4-5,7,14H,3H2,(H,12,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid has a molecular weight of 298.34 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 3-hydroxy-2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43357798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).