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

C15H10N4S3 — CID 18708454

IUPAC2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
SMILESc1ccc(-n2c(Sc3nccs3)nnc2-c2cccs2)cc1
InChIInChI=1S/C15H10N4S3/c1-2-5-11(6-3-1)19-13(12-7-4-9-20-12)17-18-14(19)22-15-16-8-10-21-15/h1-10H
InChIKeyBBLNGWZTEMQELW-UHFFFAOYSA-N
MW342.47 g/mol
LogP4.60
Rot. Bonds4

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

2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole (PubChem CID 18708454) has the molecular formula C15H10N4S3 and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
PubChem CID18708454
Molecular FormulaC15H10N4S3
Molecular Weight342.47 g/mol
Exact Mass342.01
IUPAC Name2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
SMILESc1ccc(-n2c(Sc3nccs3)nnc2-c2cccs2)cc1
InChIInChI=1S/C15H10N4S3/c1-2-5-11(6-3-1)19-13(12-7-4-9-20-12)17-18-14(19)22-15-16-8-10-21-15/h1-10H
InChIKeyBBLNGWZTEMQELW-UHFFFAOYSA-N
XLogP4.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole (CID 18708454) is 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole is c1ccc(-n2c(Sc3nccs3)nnc2-c2cccs2)cc1.
What is the InChIKey of 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
The InChIKey is BBLNGWZTEMQELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S3/c1-2-5-11(6-3-1)19-13(12-7-4-9-20-12)17-18-14(19)22-15-16-8-10-21-15/h1-10H.
What are the key properties of 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole?
2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole has a molecular weight of 342.47 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 18708454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).