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

C14H15ClN2OS — CID 19183949

IUPAC3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCCl)n2)cc1C
InChIInChI=1S/C14H15ClN2OS/c1-9-3-4-11(7-10(9)2)12-8-19-14(16-12)17-13(18)5-6-15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyLCOHXWSYXRGGIN-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.99
Rot. Bonds4

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

3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 19183949) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID19183949
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCCl)n2)cc1C
InChIInChI=1S/C14H15ClN2OS/c1-9-3-4-11(7-10(9)2)12-8-19-14(16-12)17-13(18)5-6-15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyLCOHXWSYXRGGIN-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-N-[4-(3,4-dimethylphenyl)-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-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119677128
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfanylbutanamide
CID 41086080
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19221286
3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
4-(2,5-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184106
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 55437142
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22197615
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178865
3-chloro-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 108754688

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide (CID 19183949) is 3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(NC(=O)CCCl)n2)cc1C.
What is the InChIKey of 3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is LCOHXWSYXRGGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-3-4-11(7-10(9)2)12-8-19-14(16-12)17-13(18)5-6-15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17,18).
What are the key properties of 3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 294.81 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 19183949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).