[4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea

C12H10N6OS — CID 69086177

IUPAC[4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(-c2ccnn2-c2nccs2)ccn1
InChIInChI=1S/C12H10N6OS/c13-11(19)17-10-7-8(1-3-14-10)9-2-4-16-18(9)12-15-5-6-20-12/h1-7H,(H3,13,14,17,19)
InChIKeyTZDHSACAYAUNQK-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.88
Rot. Bonds3

About [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea

[4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea (PubChem CID 69086177) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea
PubChem CID69086177
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name[4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(-c2ccnn2-c2nccs2)ccn1
InChIInChI=1S/C12H10N6OS/c13-11(19)17-10-7-8(1-3-14-10)9-2-4-16-18(9)12-15-5-6-20-12/h1-7H,(H3,13,14,17,19)
InChIKeyTZDHSACAYAUNQK-UHFFFAOYSA-N
XLogP1.88
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]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 [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea?
The IUPAC name of [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea (CID 69086177) is [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea.
What is the SMILES notation for [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea?
The canonical SMILES for [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea is NC(=O)Nc1cc(-c2ccnn2-c2nccs2)ccn1.
What is the InChIKey of [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea?
The InChIKey is TZDHSACAYAUNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c13-11(19)17-10-7-8(1-3-14-10)9-2-4-16-18(9)12-15-5-6-20-12/h1-7H,(H3,13,14,17,19).
What are the key properties of [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea?
[4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea has a molecular weight of 286.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-pyridinyl]urea is sourced from PubChem (CID 69086177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).