N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C16H18Cl2N2OS — CID 110388742

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(CCC(=O)NCCc2ccc(Cl)cc2Cl)sc1C
InChIInChI=1S/C16H18Cl2N2OS/c1-10-11(2)22-16(20-10)6-5-15(21)19-8-7-12-3-4-13(17)9-14(12)18/h3-4,9H,5-8H2,1-2H3,(H,19,21)
InChIKeyAPPVAIJDGXTJON-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.36
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 110388742) has the molecular formula C16H18Cl2N2OS and a molecular weight of 357.31 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID110388742
Molecular FormulaC16H18Cl2N2OS
Molecular Weight357.31 g/mol
Exact Mass356.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(CCC(=O)NCCc2ccc(Cl)cc2Cl)sc1C
InChIInChI=1S/C16H18Cl2N2OS/c1-10-11(2)22-16(20-10)6-5-15(21)19-8-7-12-3-4-13(17)9-14(12)18/h3-4,9H,5-8H2,1-2H3,(H,19,21)
InChIKeyAPPVAIJDGXTJON-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-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-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385692
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685590
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388675
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679038
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 110697902
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108952659
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 110388742) is N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is Cc1nc(CCC(=O)NCCc2ccc(Cl)cc2Cl)sc1C.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is APPVAIJDGXTJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2OS/c1-10-11(2)22-16(20-10)6-5-15(21)19-8-7-12-3-4-13(17)9-14(12)18/h3-4,9H,5-8H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 357.31 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110388742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).