N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide

C16H20N2OS — CID 110857231

IUPACN-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2sc(C)nc2C)c(C)c1
InChIInChI=1S/C16H20N2OS/c1-10-5-6-14(11(2)9-10)18-16(19)8-7-15-12(3)17-13(4)20-15/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKeyNHKKCSXOHPQWOE-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.95
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide

N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide (PubChem CID 110857231) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
PubChem CID110857231
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2sc(C)nc2C)c(C)c1
InChIInChI=1S/C16H20N2OS/c1-10-5-6-14(11(2)9-10)18-16(19)8-7-15-12(3)17-13(4)20-15/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKeyNHKKCSXOHPQWOE-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
CID 110857318
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
CID 110859212
N-(2,4-dimethylphenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679261
2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94761076
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110678896
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(2,4-dimethylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 8776996
N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388753
N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465560
N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453456
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide (CID 110857231) is N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide is Cc1ccc(NC(=O)CCc2sc(C)nc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is NHKKCSXOHPQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-5-6-14(11(2)9-10)18-16(19)8-7-15-12(3)17-13(4)20-15/h5-6,9H,7-8H2,1-4H3,(H,18,19).
What are the key properties of N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide?
N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 288.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 110857231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).