N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

C19H26ClN3O2S — CID 67348328

IUPACN-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCOc1ccc(N(C(C)=O)C2CS/C(=N\C3CCCCC3)N2C)cc1Cl
InChIInChI=1S/C19H26ClN3O2S/c1-13(24)23(15-9-10-17(25-3)16(20)11-15)18-12-26-19(22(18)2)21-14-7-5-4-6-8-14/h9-11,14,18H,4-8,12H2,1-3H3/b21-19-
InChIKeyMKAXCMYVEFKEJX-VZCXRCSSSA-N
MW395.96 g/mol
LogP4.39
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (PubChem CID 67348328) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
PubChem CID67348328
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
SMILESCOc1ccc(N(C(C)=O)C2CS/C(=N\C3CCCCC3)N2C)cc1Cl
InChIInChI=1S/C19H26ClN3O2S/c1-13(24)23(15-9-10-17(25-3)16(20)11-15)18-12-26-19(22(18)2)21-14-7-5-4-6-8-14/h9-11,14,18H,4-8,12H2,1-3H3/b21-19-
InChIKeyMKAXCMYVEFKEJX-VZCXRCSSSA-N
XLogP4.39
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide (CID 67348328) is N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is COc1ccc(N(C(C)=O)C2CS/C(=N\C3CCCCC3)N2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
The InChIKey is MKAXCMYVEFKEJX-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H26ClN3O2S/c1-13(24)23(15-9-10-17(25-3)16(20)11-15)18-12-26-19(22(18)2)21-14-7-5-4-6-8-14/h9-11,14,18H,4-8,12H2,1-3H3/b21-19-.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide has a molecular weight of 395.96 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide is sourced from PubChem (CID 67348328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).