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

C13H14N4O3S — CID 120534939

IUPAC4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1csc(-c2cnccn2)n1
InChIInChI=1S/C13H14N4O3S/c1-8(2-3-11(18)19)16-12(20)10-7-21-13(17-10)9-6-14-4-5-15-9/h4-8H,2-3H2,1H3,(H,16,20)(H,18,19)
InChIKeyZIYJVQBTSUYIKV-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.58
Rot. Bonds6

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

4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (PubChem CID 120534939) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
PubChem CID120534939
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1csc(-c2cnccn2)n1
InChIInChI=1S/C13H14N4O3S/c1-8(2-3-11(18)19)16-12(20)10-7-21-13(17-10)9-6-14-4-5-15-9/h4-8H,2-3H2,1H3,(H,16,20)(H,18,19)
InChIKeyZIYJVQBTSUYIKV-UHFFFAOYSA-N
XLogP1.58
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119369567
N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111485207
tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate
CID 75390054
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111697417
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
4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120530164
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087
4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
CID 81445787
4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 131920068
2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 72891309
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 95293819

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (CID 120534939) is 4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1csc(-c2cnccn2)n1.
What is the InChIKey of 4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is ZIYJVQBTSUYIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-8(2-3-11(18)19)16-12(20)10-7-21-13(17-10)9-6-14-4-5-15-9/h4-8H,2-3H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 306.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120534939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).