5-(3-chloro-2-methylpropyl)-1,3-thiazole

C7H10ClNS — CID 112645284

IUPAC5-(3-chloro-2-methylpropyl)-1,3-thiazole
SMILESCC(CCl)Cc1cncs1
InChIInChI=1S/C7H10ClNS/c1-6(3-8)2-7-4-9-5-10-7/h4-6H,2-3H2,1H3
InChIKeyCFQOUWZVXCKWPY-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.56
Rot. Bonds3

About 5-(3-chloro-2-methylpropyl)-1,3-thiazole

5-(3-chloro-2-methylpropyl)-1,3-thiazole (PubChem CID 112645284) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 5-(3-chloro-2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chloro-2-methylpropyl)-1,3-thiazole
PubChem CID112645284
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name5-(3-chloro-2-methylpropyl)-1,3-thiazole
SMILESCC(CCl)Cc1cncs1
InChIInChI=1S/C7H10ClNS/c1-6(3-8)2-7-4-9-5-10-7/h4-6H,2-3H2,1H3
InChIKeyCFQOUWZVXCKWPY-UHFFFAOYSA-N
XLogP2.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-chloro-2-methylpropyl)-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 5-(3-chloro-2-methylpropyl)-1,3-thiazole?
The IUPAC name of 5-(3-chloro-2-methylpropyl)-1,3-thiazole (CID 112645284) is 5-(3-chloro-2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chloro-2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chloro-2-methylpropyl)-1,3-thiazole is CC(CCl)Cc1cncs1.
What is the InChIKey of 5-(3-chloro-2-methylpropyl)-1,3-thiazole?
The InChIKey is CFQOUWZVXCKWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-6(3-8)2-7-4-9-5-10-7/h4-6H,2-3H2,1H3.
What are the key properties of 5-(3-chloro-2-methylpropyl)-1,3-thiazole?
5-(3-chloro-2-methylpropyl)-1,3-thiazole has a molecular weight of 175.68 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 112645284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).