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

C17H22N2O2S — CID 56782372

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)C(C)c1sc(C)nc1C
InChIInChI=1S/C17H22N2O2S/c1-11-17(22-13(3)18-11)12(2)19(4)16(20)10-14-8-6-7-9-15(14)21-5/h6-9,12H,10H2,1-5H3
InChIKeyXDXHCGQLJOBFNQ-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.53
Rot. Bonds5

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide (PubChem CID 56782372) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
PubChem CID56782372
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)C(C)c1sc(C)nc1C
InChIInChI=1S/C17H22N2O2S/c1-11-17(22-13(3)18-11)12(2)19(4)16(20)10-14-8-6-7-9-15(14)21-5/h6-9,12H,10H2,1-5H3
InChIKeyXDXHCGQLJOBFNQ-UHFFFAOYSA-N
XLogP3.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide
CID 138038549
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 9468827
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 56782362
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(2-methoxyphenyl)butanamide
CID 171132772
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119881810
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 126787533
4-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184527
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 94670347
2-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9475937

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide (CID 56782372) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide is COc1ccccc1CC(=O)N(C)C(C)c1sc(C)nc1C.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide?
The InChIKey is XDXHCGQLJOBFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11-17(22-13(3)18-11)12(2)19(4)16(20)10-14-8-6-7-9-15(14)21-5/h6-9,12H,10H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide has a molecular weight of 318.44 g/mol, XLogP of 3.53, 5 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]-2-(2-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 56782372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).