N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide

C25H37N3OS — CID 67349910

IUPACN-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)C2CS/C(=N\C3CCCCC3)N2C2CCCCC2)cc1
InChIInChI=1S/C25H37N3OS/c1-3-20-14-16-23(17-15-20)27(19(2)29)24-18-30-25(26-21-10-6-4-7-11-21)28(24)22-12-8-5-9-13-22/h14-17,21-22,24H,3-13,18H2,1-2H3/b26-25-
InChIKeyLGKSPKXPTWKOKE-QPLCGJKRSA-N
MW427.66 g/mol
LogP6.00
Rot. Bonds5

About N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide

N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 67349910) has the molecular formula C25H37N3OS and a molecular weight of 427.66 g/mol. Its IUPAC name is N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
PubChem CID67349910
Molecular FormulaC25H37N3OS
Molecular Weight427.66 g/mol
Exact Mass427.27
IUPAC NameN-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)C2CS/C(=N\C3CCCCC3)N2C2CCCCC2)cc1
InChIInChI=1S/C25H37N3OS/c1-3-20-14-16-23(17-15-20)27(19(2)29)24-18-30-25(26-21-10-6-4-7-11-21)28(24)22-12-8-5-9-13-22/h14-17,21-22,24H,3-13,18H2,1-2H3/b26-25-
InChIKeyLGKSPKXPTWKOKE-QPLCGJKRSA-N
XLogP6.00
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.66
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide (CID 67349910) is N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(N(C(C)=O)C2CS/C(=N\C3CCCCC3)N2C2CCCCC2)cc1.
What is the InChIKey of N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is LGKSPKXPTWKOKE-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H37N3OS/c1-3-20-14-16-23(17-15-20)27(19(2)29)24-18-30-25(26-21-10-6-4-7-11-21)28(24)22-12-8-5-9-13-22/h14-17,21-22,24H,3-13,18H2,1-2H3/b26-25-.
What are the key properties of N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide?
N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 427.66 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 67349910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).