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

C20H26N2OS — CID 112816461

IUPACN-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCC1CCC(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C20H26N2OS/c1-3-15-6-10-17(11-7-15)21-19(23)12-18-13-24-20(22-18)16-8-4-14(2)5-9-16/h4-5,8-9,13,15,17H,3,6-7,10-12H2,1-2H3,(H,21,23)
InChIKeyFDZSGVPYJRBIHH-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.75
Rot. Bonds5

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

N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 112816461) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID112816461
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCC1CCC(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C20H26N2OS/c1-3-15-6-10-17(11-7-15)21-19(23)12-18-13-24-20(22-18)16-8-4-14(2)5-9-16/h4-5,8-9,13,15,17H,3,6-7,10-12H2,1-2H3,(H,21,23)
InChIKeyFDZSGVPYJRBIHH-UHFFFAOYSA-N
XLogP4.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 35223783
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9488628
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9488626
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18163813
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 112819934
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 112816461) is N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is CCC1CCC(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is FDZSGVPYJRBIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-3-15-6-10-17(11-7-15)21-19(23)12-18-13-24-20(22-18)16-8-4-14(2)5-9-16/h4-5,8-9,13,15,17H,3,6-7,10-12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 342.51 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 112816461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).