2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide

C19H17ClN2O2S — CID 171152519

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C19H17ClN2O2S/c1-19(2,24-15-10-8-14(20)9-11-15)17(23)22-18-21-12-16(25-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23)
InChIKeyLQGXDYKYFPAWIZ-UHFFFAOYSA-N
MW372.88 g/mol
LogP5.26
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 171152519) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID171152519
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C19H17ClN2O2S/c1-19(2,24-15-10-8-14(20)9-11-15)17(23)22-18-21-12-16(25-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23)
InChIKeyLQGXDYKYFPAWIZ-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
CID 58198475
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 3953542
2-(4-chlorophenoxy)-2-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17321003
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 16549557
4-chloro-N-[1-oxo-1-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]benzamide
CID 86945187
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 1308911
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 91968027
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
2-(4-chlorophenoxy)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 5161471
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17128894
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-2-pyridinyl)propanamide
CID 800401

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide (CID 171152519) is 2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is LQGXDYKYFPAWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-19(2,24-15-10-8-14(20)9-11-15)17(23)22-18-21-12-16(25-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 372.88 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 171152519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).