2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

C8H8ClF3N2OS — CID 43138083

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)NCC(F)(F)F
InChIInChI=1S/C8H8ClF3N2OS/c9-2-5-3-16-7(14-5)1-6(15)13-4-8(10,11)12/h3H,1-2,4H2,(H,13,15)
InChIKeyUANUXEHWTCBCPR-UHFFFAOYSA-N
MW272.68 g/mol
LogP2.10
Rot. Bonds4

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43138083) has the molecular formula C8H8ClF3N2OS and a molecular weight of 272.68 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43138083
Molecular FormulaC8H8ClF3N2OS
Molecular Weight272.68 g/mol
Exact Mass272.00
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)NCC(F)(F)F
InChIInChI=1S/C8H8ClF3N2OS/c9-2-5-3-16-7(14-5)1-6(15)13-4-8(10,11)12/h3H,1-2,4H2,(H,13,15)
InChIKeyUANUXEHWTCBCPR-UHFFFAOYSA-N
XLogP2.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide 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 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 43138083) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1nc(CCl)cs1)NCC(F)(F)F.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UANUXEHWTCBCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2OS/c9-2-5-3-16-7(14-5)1-6(15)13-4-8(10,11)12/h3H,1-2,4H2,(H,13,15).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 272.68 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43138083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).