5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid

C13H14N4O3S — CID 120685730

IUPAC5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCCC(C)(NC(=O)c1cnc(C(=O)O)cn1)c1nccs1
InChIInChI=1S/C13H14N4O3S/c1-3-13(2,12-14-4-5-21-12)17-10(18)8-6-16-9(7-15-8)11(19)20/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNLRDKYNNFCRIQI-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.69
Rot. Bonds5

About 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid

5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685730) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685730
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCCC(C)(NC(=O)c1cnc(C(=O)O)cn1)c1nccs1
InChIInChI=1S/C13H14N4O3S/c1-3-13(2,12-14-4-5-21-12)17-10(18)8-6-16-9(7-15-8)11(19)20/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNLRDKYNNFCRIQI-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide
CID 166224655
1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide
CID 119892403
4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892442
5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689751
2-hydroxy-2-phenyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 111539967
N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119892445
1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 97095551
6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 103790286
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901396

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685730) is 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid is CCC(C)(NC(=O)c1cnc(C(=O)O)cn1)c1nccs1.
What is the InChIKey of 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is NLRDKYNNFCRIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-3-13(2,12-14-4-5-21-12)17-10(18)8-6-16-9(7-15-8)11(19)20/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 306.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).