N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide

C15H17ClN2OS — CID 110859212

IUPACN-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2C)s1
InChIInChI=1S/C15H17ClN2OS/c1-9-8-12(16)4-5-13(9)18-15(19)7-6-14-10(2)17-11(3)20-14/h4-5,8H,6-7H2,1-3H3,(H,18,19)
InChIKeyGFEKKSOVSZLOHZ-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.29
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide

N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide (PubChem CID 110859212) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
PubChem CID110859212
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2C)s1
InChIInChI=1S/C15H17ClN2OS/c1-9-8-12(16)4-5-13(9)18-15(19)7-6-14-10(2)17-11(3)20-14/h4-5,8H,6-7H2,1-3H3,(H,18,19)
InChIKeyGFEKKSOVSZLOHZ-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
CID 110857231
N-(2,5-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
CID 110857318
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789502
3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
CID 43011145
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332846
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
CID 86085592

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide (CID 110859212) is N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide is Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2C)s1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is GFEKKSOVSZLOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-9-8-12(16)4-5-13(9)18-15(19)7-6-14-10(2)17-11(3)20-14/h4-5,8H,6-7H2,1-3H3,(H,18,19).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide?
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 308.83 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 110859212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).