4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole

C8H9ClF3NOS — CID 66275908

IUPAC4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole
SMILESCC(OCc1nc(CCl)cs1)C(F)(F)F
InChIInChI=1S/C8H9ClF3NOS/c1-5(8(10,11)12)14-3-7-13-6(2-9)4-15-7/h4-5H,2-3H2,1H3
InChIKeySIDRDFLVHJSJSH-UHFFFAOYSA-N
MW259.68 g/mol
LogP3.35
Rot. Bonds4

About 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole

4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole (PubChem CID 66275908) has the molecular formula C8H9ClF3NOS and a molecular weight of 259.68 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole
PubChem CID66275908
Molecular FormulaC8H9ClF3NOS
Molecular Weight259.68 g/mol
Exact Mass259.00
IUPAC Name4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole
SMILESCC(OCc1nc(CCl)cs1)C(F)(F)F
InChIInChI=1S/C8H9ClF3NOS/c1-5(8(10,11)12)14-3-7-13-6(2-9)4-15-7/h4-5H,2-3H2,1H3
InChIKeySIDRDFLVHJSJSH-UHFFFAOYSA-N
XLogP3.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-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

4-(Chloromethyl)-2-(methoxymethyl)-1,3-thiazole
CID 15290890
2-(Tert-butoxymethyl)-4-(chloromethyl)thiazole
CID 43138243
4-(Chloromethyl)-2-(1-methoxyethyl)-1,3-thiazole
CID 61695932
4-(Chloromethyl)-2-(cyclobutoxymethyl)thiazole
CID 62142576
4-(Chloromethyl)-2-(2-methoxypropan-2-yl)thiazole
CID 79203137
O-ethyl [(S)-chloro-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]sulfanylmethanethioate
CID 22817069
2-(1-Ethoxyethenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 152483891
Ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 156847035
2-(Propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 166728023
4-(Chloromethyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 43138134
4-(Chloromethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
CID 43138136
4-(Chloromethyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-thiazole
CID 43138137

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole (CID 66275908) is 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole is CC(OCc1nc(CCl)cs1)C(F)(F)F.
What is the InChIKey of 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole?
The InChIKey is SIDRDFLVHJSJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NOS/c1-5(8(10,11)12)14-3-7-13-6(2-9)4-15-7/h4-5H,2-3H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole?
4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole has a molecular weight of 259.68 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 66275908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).