5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole

C10H11ClF3NS — CID 106784224

IUPAC5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(CCC(Cl)C2CC2)s1
InChIInChI=1S/C10H11ClF3NS/c11-8(6-1-2-6)4-3-7-5-15-9(16-7)10(12,13)14/h5-6,8H,1-4H2
InChIKeyCNYWOXDELNAUPF-UHFFFAOYSA-N
MW269.72 g/mol
LogP4.11
Rot. Bonds4

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

5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784224) has the molecular formula C10H11ClF3NS and a molecular weight of 269.72 g/mol. Its IUPAC name is 5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784224
Molecular FormulaC10H11ClF3NS
Molecular Weight269.72 g/mol
Exact Mass269.03
IUPAC Name5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(CCC(Cl)C2CC2)s1
InChIInChI=1S/C10H11ClF3NS/c11-8(6-1-2-6)4-3-7-5-15-9(16-7)10(12,13)14/h5-6,8H,1-4H2
InChIKeyCNYWOXDELNAUPF-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
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
5-(1,1-Difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
CID 170423974
5-(2-Chlorocyclohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784059
5-(2-Chlorocyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784060
5-(2-Chlorocycloheptyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784061
5-(3-Chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784066
1-Cyclopropyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106784142
1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106784166

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784224) is 5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(CCC(Cl)C2CC2)s1.
What is the InChIKey of 5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CNYWOXDELNAUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NS/c11-8(6-1-2-6)4-3-7-5-15-9(16-7)10(12,13)14/h5-6,8H,1-4H2.
What are the key properties of 5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 269.72 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).