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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Related Compounds

3-m-Tolyl-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1387917
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-(1-phenylethyl)urea
CID 4351752
1-Benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 562408
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methylphenyl)-3-phenylurea
CID 657999
3-(3,4-dimethylphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1311301
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
(2Z,5Z)-5-benzylidene-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1592196
(Z,Z)-5-(4-Dimethylamino-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236930
(7Z)-7-benzylidene-3-(4-ethylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1888918
(5Z)-3-allyl-2-allylimino-5-[4-(dimethylamino)benzylidene]thiazolidin-4-one
CID 1978270
(7E)-7-benzylidene-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 794768
(Z)-2-(4-(dimethylamino)benzylidene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin-3(5H)-one
CID 2042689

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).