5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine

C11H10N4OS — CID 79511841

IUPAC5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc2nc(-c3cc(N)n[nH]3)sc2c1
InChIInChI=1S/C11H10N4OS/c1-16-6-2-3-7-9(4-6)17-11(13-7)8-5-10(12)15-14-8/h2-5H,1H3,(H3,12,14,15)
InChIKeyKOPMFQSRDMLALA-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.28
Rot. Bonds2

About 5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine

5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine (PubChem CID 79511841) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
PubChem CID79511841
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc2nc(-c3cc(N)n[nH]3)sc2c1
InChIInChI=1S/C11H10N4OS/c1-16-6-2-3-7-9(4-6)17-11(13-7)8-5-10(12)15-14-8/h2-5H,1H3,(H3,12,14,15)
InChIKeyKOPMFQSRDMLALA-UHFFFAOYSA-N
XLogP2.28
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 115109988
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
CID 158604119
CID 158604119
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
4-bromo-2-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79512202
4-iodo-2-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79512098
4-fluoro-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79511099
4-bromo-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 115296481
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
[4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 79511931
4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
CID 66767985
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine (CID 79511841) is 5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine is COc1ccc2nc(-c3cc(N)n[nH]3)sc2c1.
What is the InChIKey of 5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine?
The InChIKey is KOPMFQSRDMLALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-16-6-2-3-7-9(4-6)17-11(13-7)8-5-10(12)15-14-8/h2-5H,1H3,(H3,12,14,15).
What are the key properties of 5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine?
5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine has a molecular weight of 246.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79511841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).