2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide

C19H16Cl2N2O2S — CID 93158742

IUPAC2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1csc(COc2cc(Cl)ccc2Cl)n1)c1ccccc1
InChIInChI=1S/C19H16Cl2N2O2S/c1-12(13-5-3-2-4-6-13)22-19(24)16-11-26-18(23-16)10-25-17-9-14(20)7-8-15(17)21/h2-9,11-12H,10H2,1H3,(H,22,24)/t12-/m0/s1
InChIKeyGPLUXASGZVPMLH-LBPRGKRZSA-N
MW407.32 g/mol
LogP5.52
Rot. Bonds6

About 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide

2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide (PubChem CID 93158742) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
PubChem CID93158742
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC Name2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1csc(COc2cc(Cl)ccc2Cl)n1)c1ccccc1
InChIInChI=1S/C19H16Cl2N2O2S/c1-12(13-5-3-2-4-6-13)22-19(24)16-11-26-18(23-16)10-25-17-9-14(20)7-8-15(17)21/h2-9,11-12H,10H2,1H3,(H,22,24)/t12-/m0/s1
InChIKeyGPLUXASGZVPMLH-LBPRGKRZSA-N
XLogP5.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide 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-[(1S)-1-phenylethyl]-2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158586
2-[(2,3-dimethylphenoxy)methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46003366
N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003169
2-[(4-nitrophenoxy)methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46003414
2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81371818
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46043725
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
CID 4980659
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
N-butan-2-yl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712817
N-[(2S)-butan-2-yl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158607
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide (CID 93158742) is 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide is C[C@H](NC(=O)c1csc(COc2cc(Cl)ccc2Cl)n1)c1ccccc1.
What is the InChIKey of 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GPLUXASGZVPMLH-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-12(13-5-3-2-4-6-13)22-19(24)16-11-26-18(23-16)10-25-17-9-14(20)7-8-15(17)21/h2-9,11-12H,10H2,1H3,(H,22,24)/t12-/m0/s1.
What are the key properties of 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide?
2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 407.32 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 93158742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).