N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine

C17H14N4S — CID 25167078

IUPACN-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine
SMILESc1ccc(CNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1
InChIInChI=1S/C17H14N4S/c1-2-4-12(5-3-1)9-18-17-20-16(11-22-17)13-6-7-15-14(8-13)10-19-21-15/h1-8,10-11H,9H2,(H,18,20)(H,19,21)
InChIKeyQVWKRMXAYICTFS-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.30
Rot. Bonds4

About N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine

N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 25167078) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine
PubChem CID25167078
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC NameN-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine
SMILESc1ccc(CNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1
InChIInChI=1S/C17H14N4S/c1-2-4-12(5-3-1)9-18-17-20-16(11-22-17)13-6-7-15-14(8-13)10-19-21-15/h1-8,10-11H,9H2,(H,18,20)(H,19,21)
InChIKeyQVWKRMXAYICTFS-UHFFFAOYSA-N
XLogP4.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-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 N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine (CID 25167078) is N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine is c1ccc(CNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1.
What is the InChIKey of N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is QVWKRMXAYICTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-2-4-12(5-3-1)9-18-17-20-16(11-22-17)13-6-7-15-14(8-13)10-19-21-15/h1-8,10-11H,9H2,(H,18,20)(H,19,21).
What are the key properties of N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 306.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25167078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).