4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid

C12H12N4O4S — CID 80655799

IUPAC4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)c2c[nH]c(=O)cn2)n1
InChIInChI=1S/C12H12N4O4S/c17-9-5-13-8(4-14-9)11(20)16-12-15-7(6-21-12)2-1-3-10(18)19/h4-6H,1-3H2,(H,14,17)(H,18,19)(H,15,16,20)
InChIKeyLFIHUJPAVVEBDO-UHFFFAOYSA-N
MW308.32 g/mol
LogP0.89
Rot. Bonds6

About 4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid

4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80655799) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
PubChem CID80655799
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)c2c[nH]c(=O)cn2)n1
InChIInChI=1S/C12H12N4O4S/c17-9-5-13-8(4-14-9)11(20)16-12-15-7(6-21-12)2-1-3-10(18)19/h4-6H,1-3H2,(H,14,17)(H,18,19)(H,15,16,20)
InChIKeyLFIHUJPAVVEBDO-UHFFFAOYSA-N
XLogP0.89
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655686
4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655852
4-[2-(1H-pyrrole-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655849
4-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656494
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655774
4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656589
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079
4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656217
4-[2-(4-methoxybutanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655638
4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 83193718
4-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655690

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid (CID 80655799) is 4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NC(=O)c2c[nH]c(=O)cn2)n1.
What is the InChIKey of 4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is LFIHUJPAVVEBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c17-9-5-13-8(4-14-9)11(20)16-12-15-7(6-21-12)2-1-3-10(18)19/h4-6H,1-3H2,(H,14,17)(H,18,19)(H,15,16,20).
What are the key properties of 4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid?
4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 308.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80655799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).