N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide

C14H15ClN2OS — CID 110859463

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCc1cc(C)c(NC(=O)CCc2cscn2)c(Cl)c1
InChIInChI=1S/C14H15ClN2OS/c1-9-5-10(2)14(12(15)6-9)17-13(18)4-3-11-7-19-8-16-11/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyBXYBSNGEAHOLDD-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.98
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 110859463) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
PubChem CID110859463
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCc1cc(C)c(NC(=O)CCc2cscn2)c(Cl)c1
InChIInChI=1S/C14H15ClN2OS/c1-9-5-10(2)14(12(15)6-9)17-13(18)4-3-11-7-19-8-16-11/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKeyBXYBSNGEAHOLDD-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

Analyze N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679477
2-(1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 54326383
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16593882
3-(3-aminophenyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 28713525
N-(2-chloro-4,6-dimethylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135871591
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107
N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
CID 109013703
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide (CID 110859463) is N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide is Cc1cc(C)c(NC(=O)CCc2cscn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is BXYBSNGEAHOLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-5-10(2)14(12(15)6-9)17-13(18)4-3-11-7-19-8-16-11/h5-8H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-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 N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110859463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).