5-butyl-2-chloro-1,3-thiazole

C7H10ClNS — CID 56622732

IUPAC5-butyl-2-chloro-1,3-thiazole
SMILESCCCCc1cnc(Cl)s1
InChIInChI=1S/C7H10ClNS/c1-2-3-4-6-5-9-7(8)10-6/h5H,2-4H2,1H3
InChIKeyZRADESJYPJKSRZ-UHFFFAOYSA-N
MW175.68 g/mol
LogP3.14
Rot. Bonds3

About 5-butyl-2-chloro-1,3-thiazole

5-butyl-2-chloro-1,3-thiazole (PubChem CID 56622732) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 5-butyl-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-butyl-2-chloro-1,3-thiazole
PubChem CID56622732
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name5-butyl-2-chloro-1,3-thiazole
SMILESCCCCc1cnc(Cl)s1
InChIInChI=1S/C7H10ClNS/c1-2-3-4-6-5-9-7(8)10-6/h5H,2-4H2,1H3
InChIKeyZRADESJYPJKSRZ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-butyl-2-chloro-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-butyl-2-chloro-1,3-thiazole?
The IUPAC name of 5-butyl-2-chloro-1,3-thiazole (CID 56622732) is 5-butyl-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-butyl-2-chloro-1,3-thiazole?
The canonical SMILES for 5-butyl-2-chloro-1,3-thiazole is CCCCc1cnc(Cl)s1.
What is the InChIKey of 5-butyl-2-chloro-1,3-thiazole?
The InChIKey is ZRADESJYPJKSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-2-3-4-6-5-9-7(8)10-6/h5H,2-4H2,1H3.
What are the key properties of 5-butyl-2-chloro-1,3-thiazole?
5-butyl-2-chloro-1,3-thiazole has a molecular weight of 175.68 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-chloro-1,3-thiazole is sourced from PubChem (CID 56622732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).