4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine

C11H10N4S — CID 2807682

IUPAC4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine
SMILESCn1cc(-c2nc3ccccc3s2)c(N)n1
InChIInChI=1S/C11H10N4S/c1-15-6-7(10(12)14-15)11-13-8-4-2-3-5-9(8)16-11/h2-6H,1H3,(H2,12,14)
InChIKeyWIJYBXNKRHTNSW-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.28
Rot. Bonds1

About 4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine

4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine (PubChem CID 2807682) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine
PubChem CID2807682
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine
SMILESCn1cc(-c2nc3ccccc3s2)c(N)n1
InChIInChI=1S/C11H10N4S/c1-15-6-7(10(12)14-15)11-13-8-4-2-3-5-9(8)16-11/h2-6H,1H3,(H2,12,14)
InChIKeyWIJYBXNKRHTNSW-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine (CID 2807682) is 4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine is Cn1cc(-c2nc3ccccc3s2)c(N)n1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine?
The InChIKey is WIJYBXNKRHTNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-15-6-7(10(12)14-15)11-13-8-4-2-3-5-9(8)16-11/h2-6H,1H3,(H2,12,14).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine?
4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine has a molecular weight of 230.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 2807682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).