(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

C9H12N2O3S — CID 78972825

IUPAC(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nc(C)c(C(=O)N[C@H](C)C(=O)O)s1
InChIInChI=1S/C9H12N2O3S/c1-4-7(15-6(3)10-4)8(12)11-5(2)9(13)14/h5H,1-3H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyIUUZKNAYJKZQTA-RXMQYKEDSA-N
MW228.27 g/mol
LogP0.96
Rot. Bonds3

About (2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 78972825) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is (2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID78972825
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nc(C)c(C(=O)N[C@H](C)C(=O)O)s1
InChIInChI=1S/C9H12N2O3S/c1-4-7(15-6(3)10-4)8(12)11-5(2)9(13)14/h5H,1-3H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyIUUZKNAYJKZQTA-RXMQYKEDSA-N
XLogP0.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120506203
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81076692
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
(2S)-3-cyclopropyl-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 112734821
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284026
2,4-dimethyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 92597751
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 167936797
2,4-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 78776283

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 78972825) is (2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is Cc1nc(C)c(C(=O)N[C@H](C)C(=O)O)s1.
What is the InChIKey of (2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is IUUZKNAYJKZQTA-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-4-7(15-6(3)10-4)8(12)11-5(2)9(13)14/h5H,1-3H3,(H,11,12)(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 228.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 78972825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).