N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide

C18H24N2O2S — CID 56782362

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)C(C)c2sc(C)nc2C)cc1
InChIInChI=1S/C18H24N2O2S/c1-12-18(23-14(3)19-12)13(2)20(4)17(21)11-8-15-6-9-16(22-5)10-7-15/h6-7,9-10,13H,8,11H2,1-5H3
InChIKeyNZFRTIAVWLPQSW-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.92
Rot. Bonds6

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 56782362) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID56782362
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)C(C)c2sc(C)nc2C)cc1
InChIInChI=1S/C18H24N2O2S/c1-12-18(23-14(3)19-12)13(2)20(4)17(21)11-8-15-6-9-16(22-5)10-7-15/h6-7,9-10,13H,8,11H2,1-5H3
InChIKeyNZFRTIAVWLPQSW-UHFFFAOYSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184527
4-[3-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-3-oxopropyl]benzoic acid
CID 120551430
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 56782372
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119881810
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121122601
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 63225839
N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 45212918
5-[1-bromo-2-(4-methoxyphenyl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 114034096
3-(4-methoxyphenyl)-N-phenyl-N-propan-2-ylpropanamide
CID 87009451
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773
3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 55574875
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide (CID 56782362) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)C(C)c2sc(C)nc2C)cc1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is NZFRTIAVWLPQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12-18(23-14(3)19-12)13(2)20(4)17(21)11-8-15-6-9-16(22-5)10-7-15/h6-7,9-10,13H,8,11H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 332.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 56782362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).