1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea

C17H14N6OS — CID 122195174

IUPAC1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESNc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4nccs4)c3)c12
InChIInChI=1S/C17H14N6OS/c18-15-14-12(5-2-6-13(14)22-23-15)10-3-1-4-11(9-10)20-16(24)21-17-19-7-8-25-17/h1-9H,(H3,18,22,23)(H2,19,20,21,24)
InChIKeyYMUQVGLMLGFMRS-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.91
Rot. Bonds3

About 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea

1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 122195174) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID122195174
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC Name1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESNc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4nccs4)c3)c12
InChIInChI=1S/C17H14N6OS/c18-15-14-12(5-2-6-13(14)22-23-15)10-3-1-4-11(9-10)20-16(24)21-17-19-7-8-25-17/h1-9H,(H3,18,22,23)(H2,19,20,21,24)
InChIKeyYMUQVGLMLGFMRS-UHFFFAOYSA-N
XLogP3.91
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea 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 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 122195174) is 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea is Nc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4nccs4)c3)c12.
What is the InChIKey of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is YMUQVGLMLGFMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c18-15-14-12(5-2-6-13(14)22-23-15)10-3-1-4-11(9-10)20-16(24)21-17-19-7-8-25-17/h1-9H,(H3,18,22,23)(H2,19,20,21,24).
What are the key properties of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 350.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 122195174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).