5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine

C15H10ClN5S2 — CID 137430230

IUPAC5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
SMILESCc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncsc3c2)s1
InChIInChI=1S/C15H10ClN5S2/c1-7-18-4-11(23-7)15-13(19-5-12(17)21-15)8-2-9(16)14-10(3-8)22-6-20-14/h2-6H,1H3,(H2,17,21)
InChIKeyHGMUZNYCFQSYAC-UHFFFAOYSA-N
MW359.87 g/mol
LogP4.42
Rot. Bonds2

About 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine

5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine (PubChem CID 137430230) has the molecular formula C15H10ClN5S2 and a molecular weight of 359.87 g/mol. Its IUPAC name is 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
PubChem CID137430230
Molecular FormulaC15H10ClN5S2
Molecular Weight359.87 g/mol
Exact Mass359.01
IUPAC Name5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
SMILESCc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncsc3c2)s1
InChIInChI=1S/C15H10ClN5S2/c1-7-18-4-11(23-7)15-13(19-5-12(17)21-15)8-2-9(16)14-10(3-8)22-6-20-14/h2-6H,1H3,(H2,17,21)
InChIKeyHGMUZNYCFQSYAC-UHFFFAOYSA-N
XLogP4.42
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.87
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The IUPAC name of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine (CID 137430230) is 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine is Cc1ncc(-c2nc(N)cnc2-c2cc(Cl)c3ncsc3c2)s1.
What is the InChIKey of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The InChIKey is HGMUZNYCFQSYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5S2/c1-7-18-4-11(23-7)15-13(19-5-12(17)21-15)8-2-9(16)14-10(3-8)22-6-20-14/h2-6H,1H3,(H2,17,21).
What are the key properties of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine has a molecular weight of 359.87 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 137430230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).