5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole

C10H13ClF3NS — CID 106784223

IUPAC5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)C(Cl)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13ClF3NS/c1-6(2)8(11)4-3-7-5-15-9(16-7)10(12,13)14/h5-6,8H,3-4H2,1-2H3
InChIKeyFZZFPNAAOHSUGF-UHFFFAOYSA-N
MW271.74 g/mol
LogP4.36
Rot. Bonds4

About 5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole

5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784223) has the molecular formula C10H13ClF3NS and a molecular weight of 271.74 g/mol. Its IUPAC name is 5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784223
Molecular FormulaC10H13ClF3NS
Molecular Weight271.74 g/mol
Exact Mass271.04
IUPAC Name5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)C(Cl)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13ClF3NS/c1-6(2)8(11)4-3-7-5-15-9(16-7)10(12,13)14/h5-6,8H,3-4H2,1-2H3
InChIKeyFZZFPNAAOHSUGF-UHFFFAOYSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-chloro-4-methylpentyl)-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-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
5-Propyl-2-(trifluoromethyl)-1,3-thiazole
CID 147938519
5-(1,1-Difluoro-2-methylpropyl)-1,3-thiazole
CID 156672690
2-Propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole
CID 157060119
2-Methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 163762677
[Difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane
CID 166735814
5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
CID 166826846
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784223) is 5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole is CC(C)C(Cl)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FZZFPNAAOHSUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NS/c1-6(2)8(11)4-3-7-5-15-9(16-7)10(12,13)14/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 271.74 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).