2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

C19H17ClN2O2S — CID 112764343

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C19H17ClN2O2S/c1-12-11-15(20)5-8-17(12)24-13(2)18(23)22-16-6-3-14(4-7-16)19-21-9-10-25-19/h3-11,13H,1-2H3,(H,22,23)
InChIKeyOBONDDNIFZKOQC-UHFFFAOYSA-N
MW372.88 g/mol
LogP5.18
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 112764343) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID112764343
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C19H17ClN2O2S/c1-12-11-15(20)5-8-17(12)24-13(2)18(23)22-16-6-3-14(4-7-16)19-21-9-10-25-19/h3-11,13H,1-2H3,(H,22,23)
InChIKeyOBONDDNIFZKOQC-UHFFFAOYSA-N
XLogP5.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.88
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55817441
2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 18230517
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899
(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 25406380
(2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid
CID 138684005

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (CID 112764343) is 2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is OBONDDNIFZKOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-11-15(20)5-8-17(12)24-13(2)18(23)22-16-6-3-14(4-7-16)19-21-9-10-25-19/h3-11,13H,1-2H3,(H,22,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 372.88 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 112764343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).