(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid

C13H14N4O3S — CID 119369567

IUPAC(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1csc(-c2cnccn2)n1)C(=O)O
InChIInChI=1S/C13H14N4O3S/c1-7(2)10(13(19)20)17-11(18)9-6-21-12(16-9)8-5-14-3-4-15-8/h3-7,10H,1-2H3,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyZPYZUORRULIMIB-SNVBAGLBSA-N
MW306.35 g/mol
LogP1.44
Rot. Bonds5

About (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid (PubChem CID 119369567) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
PubChem CID119369567
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)c1csc(-c2cnccn2)n1)C(=O)O
InChIInChI=1S/C13H14N4O3S/c1-7(2)10(13(19)20)17-11(18)9-6-21-12(16-9)8-5-14-3-4-15-8/h3-7,10H,1-2H3,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyZPYZUORRULIMIB-SNVBAGLBSA-N
XLogP1.44
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 120534939
tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate
CID 75390054
(2S)-3-methyl-2-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119360719
N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111485207
2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 100617019
1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350659
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111697417
3-methyl-2-[[2-(3-methylbutanoylamino)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 82033281
4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120530164
(2R)-3-methyl-2-[[2-(3-nitrophenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119369388
2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 82033266
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid (CID 119369567) is (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid is CC(C)[C@@H](NC(=O)c1csc(-c2cnccn2)n1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid?
The InChIKey is ZPYZUORRULIMIB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-7(2)10(13(19)20)17-11(18)9-6-21-12(16-9)8-5-14-3-4-15-8/h3-7,10H,1-2H3,(H,17,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid has a molecular weight of 306.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119369567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).