2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide

C21H21ClN2O2S — CID 4025035

IUPAC2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCCc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-3-4-15-5-7-16(8-6-15)19-13-27-21(23-19)24-20(25)14(2)26-18-11-9-17(22)10-12-18/h5-14H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyQLIIWFHBXFLCBK-UHFFFAOYSA-N
MW400.93 g/mol
LogP5.82
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide

2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 4025035) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID4025035
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCCc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-3-4-15-5-7-16(8-6-15)19-13-27-21(23-19)24-20(25)14(2)26-18-11-9-17(22)10-12-18/h5-14H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyQLIIWFHBXFLCBK-UHFFFAOYSA-N
XLogP5.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.93
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]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-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 19194806
(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7924820
2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19203500
2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide
CID 4547348
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692
2-(4-chlorophenoxy)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 108754671
2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid
CID 45388233

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide (CID 4025035) is 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide is CCCc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is QLIIWFHBXFLCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-3-4-15-5-7-16(8-6-15)19-13-27-21(23-19)24-20(25)14(2)26-18-11-9-17(22)10-12-18/h5-14H,3-4H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide?
2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 400.93 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 4025035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).