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

C11H10N4S — CID 2311153

IUPAC2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C11H10N4S/c1-7-6-10(12)15(14-7)11-13-8-4-2-3-5-9(8)16-11/h2-6H,12H2,1H3
InChIKeyMAVWAUNAOWRFBW-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.37
Rot. Bonds1

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

2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine (PubChem CID 2311153) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
PubChem CID2311153
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C11H10N4S/c1-7-6-10(12)15(14-7)11-13-8-4-2-3-5-9(8)16-11/h2-6H,12H2,1H3
InChIKeyMAVWAUNAOWRFBW-UHFFFAOYSA-N
XLogP2.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine (CID 2311153) is 2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2nc3ccccc3s2)n1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
The InChIKey is MAVWAUNAOWRFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-7-6-10(12)15(14-7)11-13-8-4-2-3-5-9(8)16-11/h2-6H,12H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine?
2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine has a molecular weight of 230.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 2311153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).