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

C20H18Cl2N2OS — CID 2194695

IUPACN-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nc(-c2ccc(C)cc2)c(C)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N2OS/c1-4-18(25)24(17-10-9-15(21)11-16(17)22)20-23-19(13(3)26-20)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3
InChIKeyVSZCDFMJARABBG-UHFFFAOYSA-N
MW405.35 g/mol
LogP6.81
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 2194695) has the molecular formula C20H18Cl2N2OS and a molecular weight of 405.35 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID2194695
Molecular FormulaC20H18Cl2N2OS
Molecular Weight405.35 g/mol
Exact Mass404.05
IUPAC NameN-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nc(-c2ccc(C)cc2)c(C)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N2OS/c1-4-18(25)24(17-10-9-15(21)11-16(17)22)20-23-19(13(3)26-20)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3
InChIKeyVSZCDFMJARABBG-UHFFFAOYSA-N
XLogP6.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.35
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 1313348
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide
CID 1303421
N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 2194677
4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoylamino]benzoic acid
CID 1313486
N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
CID 990836
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 1185920
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,5-dimethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 59712041
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
3-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-prop-2-ynylamino]propanoic acid
CID 95508816
4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline
CID 167848526

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (CID 2194695) is N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)N(c1nc(-c2ccc(C)cc2)c(C)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VSZCDFMJARABBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2OS/c1-4-18(25)24(17-10-9-15(21)11-16(17)22)20-23-19(13(3)26-20)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3.
What are the key properties of N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 405.35 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2194695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).