2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide

C20H26N2OS — CID 38706195

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C20H26N2OS/c1-14-7-6-10-18(15(14)2)22-19(23)12-17-13-24-20(21-17)11-16-8-4-3-5-9-16/h3-5,8-9,13-15,18H,6-7,10-12H2,1-2H3,(H,22,23)/t14-,15-,18-/m1/s1
InChIKeyVZBXUNRMKSPVAT-IIDMSEBBSA-N
MW342.51 g/mol
LogP4.22
Rot. Bonds5

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 38706195) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
PubChem CID38706195
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C20H26N2OS/c1-14-7-6-10-18(15(14)2)22-19(23)12-17-13-24-20(21-17)11-16-8-4-3-5-9-16/h3-5,8-9,13-15,18H,6-7,10-12H2,1-2H3,(H,22,23)/t14-,15-,18-/m1/s1
InChIKeyVZBXUNRMKSPVAT-IIDMSEBBSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide with MolForge

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Related Compounds

N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 78869634
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119619930
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
2-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 115923821
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
CID 27235346
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 11925615
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
CID 98682462
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556470
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide (CID 38706195) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is VZBXUNRMKSPVAT-IIDMSEBBSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-14-7-6-10-18(15(14)2)22-19(23)12-17-13-24-20(21-17)11-16-8-4-3-5-9-16/h3-5,8-9,13-15,18H,6-7,10-12H2,1-2H3,(H,22,23)/t14-,15-,18-/m1/s1.
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 342.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 38706195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).