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

C14H15ClN2OS — CID 24555170

IUPAC3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C14H15ClN2OS/c1-9-3-4-11(7-12(9)15)5-6-13(18)17-14-16-8-10(2)19-14/h3-4,7-8H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyPTRZFDWQMLIJDZ-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.98
Rot. Bonds4

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

3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 24555170) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID24555170
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C14H15ClN2OS/c1-9-3-4-11(7-12(9)15)5-6-13(18)17-14-16-8-10(2)19-14/h3-4,7-8H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyPTRZFDWQMLIJDZ-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 18827810
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47242346
3-(4-ethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47378490
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide
CID 43429706
3-(3-chloro-4-methylphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 60967807
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524
2-[3-(3-chloro-4-methylphenyl)propanoylamino]thiophene-3-carboxylic acid
CID 43357356
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17034914
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420181

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 24555170) is 3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)CCc2ccc(C)c(Cl)c2)s1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is PTRZFDWQMLIJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-3-4-11(7-12(9)15)5-6-13(18)17-14-16-8-10(2)19-14/h3-4,7-8H,5-6H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 294.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24555170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).