5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine

C15H12N6S — CID 137423686

IUPAC5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1ccn(-c2nc(N)cnc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C15H12N6S/c1-9-4-5-21(20-9)15-14(17-7-13(16)19-15)10-2-3-11-12(6-10)22-8-18-11/h2-8H,1H3,(H2,16,19)
InChIKeyHGRNEMQPHOTHKK-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.83
Rot. Bonds2

About 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine

5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 137423686) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
PubChem CID137423686
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1ccn(-c2nc(N)cnc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C15H12N6S/c1-9-4-5-21(20-9)15-14(17-7-13(16)19-15)10-2-3-11-12(6-10)22-8-18-11/h2-8H,1H3,(H2,16,19)
InChIKeyHGRNEMQPHOTHKK-UHFFFAOYSA-N
XLogP2.83
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 69029634
5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 122510821
3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 158202532
6-(4-methoxyphenyl)-1,3-benzothiazole
CID 91124365
6-(1,3-benzothiazol-6-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyrimidin-4-amine
CID 127024364
2-(1,3-benzothiazol-6-yl)triazol-4-amine
CID 107806802
6-(5-fluoropyrimidin-4-yl)-1,3-benzothiazole
CID 156779617
ethyl 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxylate
CID 154607822
N-[(1S)-1-[3-(2-aminopyrimidin-5-yl)phenyl]ethyl]-6-(1,3-benzothiazol-6-yl)-2-methylpyrimidin-4-amine
CID 127035359
6-methyl-4-(3-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331102
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]-(methylamino)methanol
CID 137394174

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine (CID 137423686) is 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine is Cc1ccn(-c2nc(N)cnc2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
The InChIKey is HGRNEMQPHOTHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-9-4-5-21(20-9)15-14(17-7-13(16)19-15)10-2-3-11-12(6-10)22-8-18-11/h2-8H,1H3,(H2,16,19).
What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 308.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 137423686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).