5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine

C11H10N4S — CID 117332684

IUPAC5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine
SMILESCc1nc2cccc(-c3cc(N)n[nH]3)c2s1
InChIInChI=1S/C11H10N4S/c1-6-13-8-4-2-3-7(11(8)16-6)9-5-10(12)15-14-9/h2-5H,1H3,(H3,12,14,15)
InChIKeyVSRVLHCWBHMHMC-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.58
Rot. Bonds1

About 5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine

5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine (PubChem CID 117332684) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine
PubChem CID117332684
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine
SMILESCc1nc2cccc(-c3cc(N)n[nH]3)c2s1
InChIInChI=1S/C11H10N4S/c1-6-13-8-4-2-3-7(11(8)16-6)9-5-10(12)15-14-9/h2-5H,1H3,(H3,12,14,15)
InChIKeyVSRVLHCWBHMHMC-UHFFFAOYSA-N
XLogP2.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine (CID 117332684) is 5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine is Cc1nc2cccc(-c3cc(N)n[nH]3)c2s1.
What is the InChIKey of 5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine?
The InChIKey is VSRVLHCWBHMHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-6-13-8-4-2-3-7(11(8)16-6)9-5-10(12)15-14-9/h2-5H,1H3,(H3,12,14,15).
What are the key properties of 5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine?
5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine has a molecular weight of 230.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-benzothiazol-7-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117332684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).