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

C19H17ClN2O2S — CID 4192388

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17ClN2O2S/c1-12-10-15(20)8-9-17(12)24-13(2)18(23)22-19-21-16(11-25-19)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,22,23)
InChIKeyLCXVENFZNCSBSG-UHFFFAOYSA-N
MW372.88 g/mol
LogP5.18
Rot. Bonds5

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

2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 4192388) 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-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID4192388
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17ClN2O2S/c1-12-10-15(20)8-9-17(12)24-13(2)18(23)22-19-21-16(11-25-19)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,22,23)
InChIKeyLCXVENFZNCSBSG-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-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2917163
2-(4-chloro-2-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19194808
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 19194806
2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 18230517
(2S)-N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2676975
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide
CID 4547348
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
ethyl 2-[2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18287510
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 20896160

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 4192388) is 2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is LCXVENFZNCSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-10-15(20)8-9-17(12)24-13(2)18(23)22-19-21-16(11-25-19)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)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-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4192388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).