3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine

C12H22N2S — CID 141114336

IUPAC3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)/N=C1\SCCN1C1CCCCC1
InChIInChI=1S/C12H22N2S/c1-10(2)13-12-14(8-9-15-12)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3/b13-12-
InChIKeySRVHNKGNVGOWAI-SEYXRHQNSA-N
MW226.39 g/mol
LogP3.13
Rot. Bonds2

About 3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine

3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 141114336) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID141114336
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)/N=C1\SCCN1C1CCCCC1
InChIInChI=1S/C12H22N2S/c1-10(2)13-12-14(8-9-15-12)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3/b13-12-
InChIKeySRVHNKGNVGOWAI-SEYXRHQNSA-N
XLogP3.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4a,5,6,7,8,8a-Octahydro[1,3]thiazolo[3,2-a]benzimidazole
CID 145924943
6-Pentyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 67743177
N-cyclohexyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 91622581
N,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-imine
CID 140417903
N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 145121141
N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 155448857
N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine
CID 166733007
(7aS)-N,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-imine
CID 166754611
(9aS)-N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167109729
N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167242586
2-[(2R)-2-ethylpiperidin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole
CID 173894320
propan-2-yl (2R)-2-ethyl-N-methylpiperidine-1-carboximidothioate
CID 173894331

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine (CID 141114336) is 3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)/N=C1\SCCN1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is SRVHNKGNVGOWAI-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H22N2S/c1-10(2)13-12-14(8-9-15-12)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3/b13-12-.
What are the key properties of 3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine?
3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 226.39 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 141114336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).