4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole

C15H10ClN5S — CID 90288614

IUPAC4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole
SMILESClc1ccc2ncc(-c3cnn(Cc4cscn4)c3)cc2n1
InChIInChI=1S/C15H10ClN5S/c16-15-2-1-13-14(20-15)3-10(4-17-13)11-5-19-21(6-11)7-12-8-22-9-18-12/h1-6,8-9H,7H2
InChIKeyFDYIZNXOIAAKKF-UHFFFAOYSA-N
MW327.80 g/mol
LogP3.65
Rot. Bonds3

About 4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole

4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole (PubChem CID 90288614) has the molecular formula C15H10ClN5S and a molecular weight of 327.80 g/mol. Its IUPAC name is 4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole
PubChem CID90288614
Molecular FormulaC15H10ClN5S
Molecular Weight327.80 g/mol
Exact Mass327.03
IUPAC Name4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole
SMILESClc1ccc2ncc(-c3cnn(Cc4cscn4)c3)cc2n1
InChIInChI=1S/C15H10ClN5S/c16-15-2-1-13-14(20-15)3-10(4-17-13)11-5-19-21(6-11)7-12-8-22-9-18-12/h1-6,8-9H,7H2
InChIKeyFDYIZNXOIAAKKF-UHFFFAOYSA-N
XLogP3.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole 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-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole (CID 90288614) is 4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole is Clc1ccc2ncc(-c3cnn(Cc4cscn4)c3)cc2n1.
What is the InChIKey of 4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is FDYIZNXOIAAKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5S/c16-15-2-1-13-14(20-15)3-10(4-17-13)11-5-19-21(6-11)7-12-8-22-9-18-12/h1-6,8-9H,7H2.
What are the key properties of 4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole?
4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 327.80 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 90288614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).