4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole

C19H17ClN4OS3 — CID 18708162

IUPAC4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole
SMILESCOCCCn1c(Sc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccs1
InChIInChI=1S/C19H17ClN4OS3/c1-25-10-3-9-24-17(16-4-2-11-26-16)22-23-18(24)28-19-21-15(12-27-19)13-5-7-14(20)8-6-13/h2,4-8,11-12H,3,9-10H2,1H3
InChIKeyWHGRCRWJUCZIDK-UHFFFAOYSA-N
MW449.03 g/mol
LogP5.97
Rot. Bonds8

About 4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole

4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole (PubChem CID 18708162) has the molecular formula C19H17ClN4OS3 and a molecular weight of 449.03 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole
PubChem CID18708162
Molecular FormulaC19H17ClN4OS3
Molecular Weight449.03 g/mol
Exact Mass448.03
IUPAC Name4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole
SMILESCOCCCn1c(Sc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccs1
InChIInChI=1S/C19H17ClN4OS3/c1-25-10-3-9-24-17(16-4-2-11-26-16)22-23-18(24)28-19-21-15(12-27-19)13-5-7-14(20)8-6-13/h2,4-8,11-12H,3,9-10H2,1H3
InChIKeyWHGRCRWJUCZIDK-UHFFFAOYSA-N
XLogP5.97
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.03
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-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-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole (CID 18708162) is 4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole is COCCCn1c(Sc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1cccs1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole?
The InChIKey is WHGRCRWJUCZIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4OS3/c1-25-10-3-9-24-17(16-4-2-11-26-16)22-23-18(24)28-19-21-15(12-27-19)13-5-7-14(20)8-6-13/h2,4-8,11-12H,3,9-10H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole has a molecular weight of 449.03 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole is sourced from PubChem (CID 18708162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).