5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid

C12H8N4O2S — CID 107372297

IUPAC5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(Nc2nc3ccccc3s2)cn1
InChIInChI=1S/C12H8N4O2S/c17-11(18)8-5-14-10(6-13-8)16-12-15-7-3-1-2-4-9(7)19-12/h1-6H,(H,17,18)(H,14,15,16)
InChIKeyLZBYYJXGJRHLDA-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.53
Rot. Bonds3

About 5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid

5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid (PubChem CID 107372297) has the molecular formula C12H8N4O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid
PubChem CID107372297
Molecular FormulaC12H8N4O2S
Molecular Weight272.29 g/mol
Exact Mass272.04
IUPAC Name5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(Nc2nc3ccccc3s2)cn1
InChIInChI=1S/C12H8N4O2S/c17-11(18)8-5-14-10(6-13-8)16-12-15-7-3-1-2-4-9(7)19-12/h1-6H,(H,17,18)(H,14,15,16)
InChIKeyLZBYYJXGJRHLDA-UHFFFAOYSA-N
XLogP2.53
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-benzothiazol-2-ylamino)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

N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
CID 113264920
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
4-amino-3-(1,3-benzothiazol-2-ylamino)benzoic acid
CID 82784813
N-(2-bromo-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
CID 175658877
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
N-(1,3-benzothiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104639786
2-[3-(1,3-benzothiazol-2-ylamino)-5,6-dihydropyrrolo[2,3-c]pyridazin-7-yl]-1,3-thiazole-4-carboxylic acid
CID 155593880
2-[(5-fluoro-2-pyridinyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 87722740
1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491805
1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135222667
3-(1,3-benzothiazol-2-ylamino)benzamide
CID 103602868

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid (CID 107372297) is 5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid is O=C(O)c1cnc(Nc2nc3ccccc3s2)cn1.
What is the InChIKey of 5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is LZBYYJXGJRHLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2S/c17-11(18)8-5-14-10(6-13-8)16-12-15-7-3-1-2-4-9(7)19-12/h1-6H,(H,17,18)(H,14,15,16).
What are the key properties of 5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid?
5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 272.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).