2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide

C20H29N3O2S — CID 67348430

IUPAC2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2C(C)S/C(=N\C3CCCCC3)N2C)cc1
InChIInChI=1S/C20H29N3O2S/c1-14-18(13-19(24)21-16-9-11-17(25-3)12-10-16)23(2)20(26-14)22-15-7-5-4-6-8-15/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,21,24)/b22-20-
InChIKeyHVJLXKODXZKVEH-XDOYNYLZSA-N
MW375.54 g/mol
LogP4.15
Rot. Bonds5

About 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide

2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 67348430) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID67348430
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2C(C)S/C(=N\C3CCCCC3)N2C)cc1
InChIInChI=1S/C20H29N3O2S/c1-14-18(13-19(24)21-16-9-11-17(25-3)12-10-16)23(2)20(26-14)22-15-7-5-4-6-8-15/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,21,24)/b22-20-
InChIKeyHVJLXKODXZKVEH-XDOYNYLZSA-N
XLogP4.15
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 67349479
2-(2-cycloheptylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-nitrophenyl)acetamide;hydrochloride
CID 67348570
2-(2-cyclopropylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
CID 67347875
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135745346
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67346202
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
N-(4-bromophenyl)-2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67348468
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 67351201
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 67351067

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide (CID 67348430) is 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CC2C(C)S/C(=N\C3CCCCC3)N2C)cc1.
What is the InChIKey of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is HVJLXKODXZKVEH-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-14-18(13-19(24)21-16-9-11-17(25-3)12-10-16)23(2)20(26-14)22-15-7-5-4-6-8-15/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,21,24)/b22-20-.
What are the key properties of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide?
2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 375.54 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 67348430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).