N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide

C16H17F3N2O4S — CID 43077525

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)C(C)OCC(F)(F)F)n2)c(OC)c1
InChIInChI=1S/C16H17F3N2O4S/c1-9(25-8-16(17,18)19)14(22)21-15-20-12(7-26-15)11-5-4-10(23-2)6-13(11)24-3/h4-7,9H,8H2,1-3H3,(H,20,21,22)
InChIKeyGKYAWOJTFVQWQD-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.73
Rot. Bonds7

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43077525) has the molecular formula C16H17F3N2O4S and a molecular weight of 390.38 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43077525
Molecular FormulaC16H17F3N2O4S
Molecular Weight390.38 g/mol
Exact Mass390.09
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)C(C)OCC(F)(F)F)n2)c(OC)c1
InChIInChI=1S/C16H17F3N2O4S/c1-9(25-8-16(17,18)19)14(22)21-15-20-12(7-26-15)11-5-4-10(23-2)6-13(11)24-3/h4-7,9H,8H2,1-3H3,(H,20,21,22)
InChIKeyGKYAWOJTFVQWQD-UHFFFAOYSA-N
XLogP3.73
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide 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-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 30245473
(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 94816049
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 48847769
(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38900928
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077781
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 30659809
methyl N-[1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47991752
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119679949
(2S)-2-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,3-dimethylbutanamide
CID 119679944
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 43077525) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide is COc1ccc(-c2csc(NC(=O)C(C)OCC(F)(F)F)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is GKYAWOJTFVQWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4S/c1-9(25-8-16(17,18)19)14(22)21-15-20-12(7-26-15)11-5-4-10(23-2)6-13(11)24-3/h4-7,9H,8H2,1-3H3,(H,20,21,22).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 390.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43077525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).