N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C11H17N3O2S — CID 156591567

IUPACN-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)NC2CCCCC2)S1
InChIInChI=1S/C11H17N3O2S/c12-11-14-10(16)8(17-11)6-9(15)13-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,13,15)(H2,12,14,16)
InChIKeyZRCSYEWWILVEGF-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.99
Rot. Bonds3

About N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 156591567) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID156591567
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)NC2CCCCC2)S1
InChIInChI=1S/C11H17N3O2S/c12-11-14-10(16)8(17-11)6-9(15)13-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,13,15)(H2,12,14,16)
InChIKeyZRCSYEWWILVEGF-UHFFFAOYSA-N
XLogP0.99
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclohexyl-2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamide
CID 2937577
N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 4254596
CID 137318713
CID 137318713
N-cyclohexyl-2-[4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136025154
N-cyclohexyl-2-[2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136087234
5-[2-(Azepan-1-yl)-2-oxoethyl]-2-cyclohexylimino-1,3-thiazolidin-4-one
CID 136431221
N-cyclohexyl-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136444358
[(5S)-5-[2-[(3-methylcyclohexyl)amino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]azanium
CID 140917547
N-ethyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide;methane
CID 174546042
N-cyclohexyl-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1302402
N-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1302406
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-cyclohexylacetamide
CID 2382207

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 156591567) is N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is [H]/N=C1\NC(=O)C(CC(=O)NC2CCCCC2)S1.
What is the InChIKey of N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is ZRCSYEWWILVEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-11-14-10(16)8(17-11)6-9(15)13-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,13,15)(H2,12,14,16).
What are the key properties of N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 255.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 156591567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).