N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

C16H20N2OS — CID 78809222

IUPACN,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)C(=O)Cc1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H20N2OS/c1-4-18(5-2)15(19)10-14-11-20-16(17-14)13-8-6-7-12(3)9-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyQPSHCKBHXBVVER-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.53
Rot. Bonds5

About N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 78809222) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID78809222
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)C(=O)Cc1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H20N2OS/c1-4-18(5-2)15(19)10-14-11-20-16(17-14)13-8-6-7-12(3)9-13/h6-9,11H,4-5,10H2,1-3H3
InChIKeyQPSHCKBHXBVVER-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111663091
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994
4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide
CID 24670510
2-[cyclopropyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122067262
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
methyl 2-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 78884785
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119554455
[(E)-but-2-enyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78831556
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 78809222) is N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is CCN(CC)C(=O)Cc1csc(-c2cccc(C)c2)n1.
What is the InChIKey of N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is QPSHCKBHXBVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-18(5-2)15(19)10-14-11-20-16(17-14)13-8-6-7-12(3)9-13/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 288.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 78809222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).