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

C16H20N2OS — CID 110388753

IUPACN-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2nc(C)c(C)s2)c1
InChIInChI=1S/C16H20N2OS/c1-10-5-6-11(2)14(9-10)18-15(19)7-8-16-17-12(3)13(4)20-16/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKeyAWRZJLSJPHONKE-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.95
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 110388753) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID110388753
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2nc(C)c(C)s2)c1
InChIInChI=1S/C16H20N2OS/c1-10-5-6-11(2)14(9-10)18-15(19)7-8-16-17-12(3)13(4)20-16/h5-6,9H,7-8H2,1-4H3,(H,18,19)
InChIKeyAWRZJLSJPHONKE-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
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
CID 40710369
N-(2,5-dimethylphenyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529959
N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649705
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84564566
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
N-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
CID 110857231
3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 17493962
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388742
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 110388753) is N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is Cc1ccc(C)c(NC(=O)CCc2nc(C)c(C)s2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is AWRZJLSJPHONKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-5-6-11(2)14(9-10)18-15(19)7-8-16-17-12(3)13(4)20-16/h5-6,9H,7-8H2,1-4H3,(H,18,19).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-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-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110388753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).