2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine

C12H11N5OS — CID 80653006

IUPAC2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine
SMILESCOc1ccc2nc(Nc3cnc(N)cn3)sc2c1
InChIInChI=1S/C12H11N5OS/c1-18-7-2-3-8-9(4-7)19-12(16-8)17-11-6-14-10(13)5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16,17)
InChIKeyIWLQRSRJLLNVCL-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.42
Rot. Bonds3

About 2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine

2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine (PubChem CID 80653006) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine
PubChem CID80653006
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine
SMILESCOc1ccc2nc(Nc3cnc(N)cn3)sc2c1
InChIInChI=1S/C12H11N5OS/c1-18-7-2-3-8-9(4-7)19-12(16-8)17-11-6-14-10(13)5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16,17)
InChIKeyIWLQRSRJLLNVCL-UHFFFAOYSA-N
XLogP2.42
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,6-diamine
CID 114561888
6-chloro-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 23477564
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
CID 29277301
6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19142735
2-N-(2,5-dimethoxyphenyl)pyrazine-2,5-diamine
CID 80653257
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
4-N-(1-adamantyl)-6-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19143485
5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid
CID 104638730

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine (CID 80653006) is 2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine is COc1ccc2nc(Nc3cnc(N)cn3)sc2c1.
What is the InChIKey of 2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine?
The InChIKey is IWLQRSRJLLNVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-18-7-2-3-8-9(4-7)19-12(16-8)17-11-6-14-10(13)5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16,17).
What are the key properties of 2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine?
2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine has a molecular weight of 273.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine is sourced from PubChem (CID 80653006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).