N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide

C15H24N4O2S — CID 142822936

IUPACN-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide
SMILESC=C(CNC(=O)C1CCCCC1)C(=O)N/N=C1\SCCN1C
InChIInChI=1S/C15H24N4O2S/c1-11(10-16-14(21)12-6-4-3-5-7-12)13(20)17-18-15-19(2)8-9-22-15/h12H,1,3-10H2,2H3,(H,16,21)(H,17,20)/b18-15-
InChIKeyLEBGXCZCQOBECL-SDXDJHTJSA-N
MW324.45 g/mol
LogP1.30
Rot. Bonds5

About N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide

N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide (PubChem CID 142822936) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide
PubChem CID142822936
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide
SMILESC=C(CNC(=O)C1CCCCC1)C(=O)N/N=C1\SCCN1C
InChIInChI=1S/C15H24N4O2S/c1-11(10-16-14(21)12-6-4-3-5-7-12)13(20)17-18-15-19(2)8-9-22-15/h12H,1,3-10H2,2H3,(H,16,21)(H,17,20)/b18-15-
InChIKeyLEBGXCZCQOBECL-SDXDJHTJSA-N
XLogP1.30
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-cyclopropyl-3-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;hydrochloride
CID 87150022
N-[1-cyclohexyl-3-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-2,3-dioxopropyl]cycloheptanecarboxamide;ethane
CID 172945656
N-[1-cyclopentyl-3-[2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide
CID 66785538
N-[(1S)-1-cyclohexyl-3-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide
CID 87150452
N-[(3S)-4-methyl-1-[2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,2-dioxohexan-3-yl]cyclohexanecarboxamide
CID 66784613
N-[1-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,2-dioxo-4-propylheptan-3-yl]cyclohexanecarboxamide
CID 87150028
N-[3-[2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclohexanecarboxamide
CID 66784380
N-[(2S)-4-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-3,4-dioxo-1-phenylbutan-2-yl]cyclohexanecarboxamide
CID 87150224
N-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-2,3-dioxopropyl]cyclohexanecarboxamide;hydrochloride
CID 87150034
(E)-N-[1-cyclohexyl-3-[(2Z)-2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-2,3-dioxopropyl]-4,4-dimethylpent-2-enamide;hydrochloride
CID 87150538
N-(2-methylprop-2-enyl)cyclopentanecarboxamide
CID 91695769
N-[3-[2-(3-tert-butyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclohexanecarboxamide;hydrochloride
CID 66785218

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide (CID 142822936) is N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide is C=C(CNC(=O)C1CCCCC1)C(=O)N/N=C1\SCCN1C.
What is the InChIKey of N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide?
The InChIKey is LEBGXCZCQOBECL-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11(10-16-14(21)12-6-4-3-5-7-12)13(20)17-18-15-19(2)8-9-22-15/h12H,1,3-10H2,2H3,(H,16,21)(H,17,20)/b18-15-.
What are the key properties of N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide?
N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-(3-methyl-1,3-thiazolidin-2-ylidene)amino]carbamoyl]prop-2-enyl]cyclohexanecarboxamide is sourced from PubChem (CID 142822936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).