N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide

C13H12Cl2N2OS — CID 177178914

IUPACN-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cnc(-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C13H12Cl2N2OS/c1-7(2)12(18)17-11-6-16-13(19-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H,17,18)
InChIKeyOBXHSFVHRNISST-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.71
Rot. Bonds3

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

N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide (PubChem CID 177178914) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
PubChem CID177178914
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC NameN-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cnc(-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C13H12Cl2N2OS/c1-7(2)12(18)17-11-6-16-13(19-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H,17,18)
InChIKeyOBXHSFVHRNISST-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide 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-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 177178454
2-chloro-2-fluoro-N-(2-phenyl-1,3-thiazol-5-yl)acetamide
CID 132534872
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenyl-1,3-thiazol-5-yl)propanamide
CID 2905444
(2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
CID 155272117
tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
CID 155271868
1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 115568074
tert-butyl N-[(3R)-4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-3-methyl-4-oxobutyl]carbamate
CID 155271932
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
1-[(2S)-1-hydroxypropan-2-yl]-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)urea
CID 97341252
5-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid
CID 71739952
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide (CID 177178914) is N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cnc(-c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide?
The InChIKey is OBXHSFVHRNISST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-7(2)12(18)17-11-6-16-13(19-11)8-3-4-9(14)10(15)5-8/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide?
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide has a molecular weight of 315.23 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 177178914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).