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

C17H22N2OS — CID 90652251

IUPAC2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NC(C)c2nc(C)sc2C)c1
InChIInChI=1S/C17H22N2OS/c1-10-6-7-11(2)15(8-10)9-16(20)18-12(3)17-13(4)21-14(5)19-17/h6-8,12H,9H2,1-5H3,(H,18,20)
InChIKeyMQDZYYXNRBSIAK-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.80
Rot. Bonds4

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

2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 90652251) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID90652251
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NC(C)c2nc(C)sc2C)c1
InChIInChI=1S/C17H22N2OS/c1-10-6-7-11(2)15(8-10)9-16(20)18-12(3)17-13(4)21-14(5)19-17/h6-8,12H,9H2,1-5H3,(H,18,20)
InChIKeyMQDZYYXNRBSIAK-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
ethyl 2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoate
CID 62538862
2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide
CID 115662051
2-(4,5-dimethylimidazol-1-yl)-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 125166958
2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920089
N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide
CID 106354683
5-[[2-(2,5-dimethylphenyl)acetyl]amino]hexanoic acid
CID 82854155
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444
2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 95288291
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 62538832

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 90652251) is 2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1ccc(C)c(CC(=O)NC(C)c2nc(C)sc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is MQDZYYXNRBSIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-10-6-7-11(2)15(8-10)9-16(20)18-12(3)17-13(4)21-14(5)19-17/h6-8,12H,9H2,1-5H3,(H,18,20).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 302.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 90652251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).