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

C8H8ClF3N2O2S — CID 103208756

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1nc(CCl)cs1
InChIInChI=1S/C8H8ClF3N2O2S/c9-1-5-3-17-7(13-5)14-6(15)2-16-4-8(10,11)12/h3H,1-2,4H2,(H,13,14,15)
InChIKeyHGRPCOBPJBCPPD-UHFFFAOYSA-N
MW288.68 g/mol
LogP2.40
Rot. Bonds5

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

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103208756) has the molecular formula C8H8ClF3N2O2S and a molecular weight of 288.68 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103208756
Molecular FormulaC8H8ClF3N2O2S
Molecular Weight288.68 g/mol
Exact Mass287.99
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1nc(CCl)cs1
InChIInChI=1S/C8H8ClF3N2O2S/c9-1-5-3-17-7(13-5)14-6(15)2-16-4-8(10,11)12/h3H,1-2,4H2,(H,13,14,15)
InChIKeyHGRPCOBPJBCPPD-UHFFFAOYSA-N
XLogP2.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.68
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 14962253
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
CID 43140246
N-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45802599
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4,4,4-trifluorobutanamide
CID 65709756
2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78863568
2-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78863621
2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78872137
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 78875330
2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78876267
2-(cyclopropylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78876406
2-cyclopentyloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78887939
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 78892612

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103208756) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1nc(CCl)cs1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is HGRPCOBPJBCPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O2S/c9-1-5-3-17-7(13-5)14-6(15)2-16-4-8(10,11)12/h3H,1-2,4H2,(H,13,14,15).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 288.68 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103208756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).