4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine

C14H17N5S — CID 66768141

IUPAC4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine
SMILESCNCCCc1[nH]nc(N)c1-c1nc2ccccc2s1
InChIInChI=1S/C14H17N5S/c1-16-8-4-6-10-12(13(15)19-18-10)14-17-9-5-2-3-7-11(9)20-14/h2-3,5,7,16H,4,6,8H2,1H3,(H3,15,18,19)
InChIKeyAUVSEZNSBWGOIM-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.42
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine

4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine (PubChem CID 66768141) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine
PubChem CID66768141
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine
SMILESCNCCCc1[nH]nc(N)c1-c1nc2ccccc2s1
InChIInChI=1S/C14H17N5S/c1-16-8-4-6-10-12(13(15)19-18-10)14-17-9-5-2-3-7-11(9)20-14/h2-3,5,7,16H,4,6,8H2,1H3,(H3,15,18,19)
InChIKeyAUVSEZNSBWGOIM-UHFFFAOYSA-N
XLogP2.42
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine (CID 66768141) is 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine is CNCCCc1[nH]nc(N)c1-c1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine?
The InChIKey is AUVSEZNSBWGOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-16-8-4-6-10-12(13(15)19-18-10)14-17-9-5-2-3-7-11(9)20-14/h2-3,5,7,16H,4,6,8H2,1H3,(H3,15,18,19).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine?
4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine has a molecular weight of 287.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-5-[3-(methylamino)propyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 66768141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).