5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole

C7H7ClF3NS — CID 106784216

IUPAC5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(CCCCl)s1
InChIInChI=1S/C7H7ClF3NS/c8-3-1-2-5-4-12-6(13-5)7(9,10)11/h4H,1-3H2
InChIKeyZGHLRNONZWLLHE-UHFFFAOYSA-N
MW229.65 g/mol
LogP3.33
Rot. Bonds3

About 5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole

5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784216) has the molecular formula C7H7ClF3NS and a molecular weight of 229.65 g/mol. Its IUPAC name is 5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784216
Molecular FormulaC7H7ClF3NS
Molecular Weight229.65 g/mol
Exact Mass228.99
IUPAC Name5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(CCCCl)s1
InChIInChI=1S/C7H7ClF3NS/c8-3-1-2-5-4-12-6(13-5)7(9,10)11/h4H,1-3H2
InChIKeyZGHLRNONZWLLHE-UHFFFAOYSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-chloropropyl)-2-(trifluoromethyl)-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

Related Compounds

5-(Chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
2-Chloro-5-(1-chloroethyl)thiazole
CID 21698297
5-(Chloromethyl)-2-(difluoromethyl)-1,3-thiazole
CID 21698301
2-Methyl-5-propylthiazole
CID 574547
5-(Chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 65575265
5-(Chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole
CID 155943455
5-(Chloromethyl)-2-(1,1,2,2-tetrafluoroethyl)-1,3-thiazole
CID 21698029
5-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole
CID 53861365
2-Methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 54044065
2-Chloro-5-(2,2-difluoroethyl)-1,3-thiazole
CID 54251704
2-Chloro-5-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 54317881
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784216) is 5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(CCCCl)s1.
What is the InChIKey of 5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZGHLRNONZWLLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NS/c8-3-1-2-5-4-12-6(13-5)7(9,10)11/h4H,1-3H2.
What are the key properties of 5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 229.65 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).