4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C11H7ClN4S — CID 55152978

IUPAC4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESClc1cccc(-c2csc(-c3ncn[nH]3)n2)c1
InChIInChI=1S/C11H7ClN4S/c12-8-3-1-2-7(4-8)9-5-17-11(15-9)10-13-6-14-16-10/h1-6H,(H,13,14,16)
InChIKeyXKYCOTPZSXHVNI-UHFFFAOYSA-N
MW262.73 g/mol
LogP3.25
Rot. Bonds2

About 4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 55152978) has the molecular formula C11H7ClN4S and a molecular weight of 262.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID55152978
Molecular FormulaC11H7ClN4S
Molecular Weight262.73 g/mol
Exact Mass262.01
IUPAC Name4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESClc1cccc(-c2csc(-c3ncn[nH]3)n2)c1
InChIInChI=1S/C11H7ClN4S/c12-8-3-1-2-7(4-8)9-5-17-11(15-9)10-13-6-14-16-10/h1-6H,(H,13,14,16)
InChIKeyXKYCOTPZSXHVNI-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-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-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 55152978) is 4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Clc1cccc(-c2csc(-c3ncn[nH]3)n2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is XKYCOTPZSXHVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4S/c12-8-3-1-2-7(4-8)9-5-17-11(15-9)10-13-6-14-16-10/h1-6H,(H,13,14,16).
What are the key properties of 4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 262.73 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 55152978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).