2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide

C14H12ClF3N2OS — CID 122144134

IUPAC2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF3N2OS/c1-20(7-12-19-11(8-22-12)14(16,17)18)13(21)6-9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyHANPLPUGFGAWNS-UHFFFAOYSA-N
MW348.78 g/mol
LogP4.02
Rot. Bonds4

About 2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide

2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 122144134) has the molecular formula C14H12ClF3N2OS and a molecular weight of 348.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID122144134
Molecular FormulaC14H12ClF3N2OS
Molecular Weight348.78 g/mol
Exact Mass348.03
IUPAC Name2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF3N2OS/c1-20(7-12-19-11(8-22-12)14(16,17)18)13(21)6-9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyHANPLPUGFGAWNS-UHFFFAOYSA-N
XLogP4.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 120563759
3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813026
2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 119813025
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentanecarboxamide
CID 71983767
2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120637590
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 119813017
2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride
CID 84588637
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
5-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685824
N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide
CID 71983792
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813020

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 122144134) is 2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is CN(Cc1nc(C(F)(F)F)cs1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is HANPLPUGFGAWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2OS/c1-20(7-12-19-11(8-22-12)14(16,17)18)13(21)6-9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 348.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 122144134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).