(5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine

C14H23N3S — CID 176541730

IUPAC(5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine
SMILES[H]/N=C1\N/C(=N\C2CC3CCC2C3)S[C@@]1(C)CCC
InChIInChI=1S/C14H23N3S/c1-3-6-14(2)12(15)17-13(18-14)16-11-8-9-4-5-10(11)7-9/h9-11H,3-8H2,1-2H3,(H2,15,16,17)/t9?,10?,11?,14-/m0/s1
InChIKeyYOFHSPLSFBMILL-CMLRVBMESA-N
MW265.43 g/mol
LogP3.40
Rot. Bonds3

About (5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine

(5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine (PubChem CID 176541730) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is (5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine.

Molecular Properties

Compound Name(5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine
PubChem CID176541730
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name(5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine
SMILES[H]/N=C1\N/C(=N\C2CC3CCC2C3)S[C@@]1(C)CCC
InChIInChI=1S/C14H23N3S/c1-3-6-14(2)12(15)17-13(18-14)16-11-8-9-4-5-10(11)7-9/h9-11H,3-8H2,1-2H3,(H2,15,16,17)/t9?,10?,11?,14-/m0/s1
InChIKeyYOFHSPLSFBMILL-CMLRVBMESA-N
XLogP3.40
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(oxan-4-ylmethyl)-1,3-thiazolidin-4-one
CID 135989120
2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136503065
(5R)-2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136503261
(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(1,1-difluoroethyl)-5-methyl-1,3-thiazolidin-4-one
CID 135999762
2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 135989482
(5S)-5-acetyl-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one;(5R)-5-acetyl-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one
CID 158700064
5-[(1-acetylpiperidin-4-yl)methyl]-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one
CID 135989755
2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-5-methyl-1,3-thiazolidin-4-one
CID 143467983
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3-thiazolidin-4-one
CID 135989710
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazolidin-4-one
CID 135989355
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(1-methylpiperidin-4-yl)-1,3-thiazolidin-4-one
CID 136595644
2-(2-bicyclo[2.2.1]heptanylimino)-5,5-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazolidin-4-one
CID 135989681

Frequently Asked Questions

What is the IUPAC name of (5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine?
The IUPAC name of (5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine (CID 176541730) is (5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine.
What is the SMILES notation for (5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine?
The canonical SMILES for (5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine is [H]/N=C1\N/C(=N\C2CC3CCC2C3)S[C@@]1(C)CCC.
What is the InChIKey of (5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine?
The InChIKey is YOFHSPLSFBMILL-CMLRVBMESA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-6-14(2)12(15)17-13(18-14)16-11-8-9-4-5-10(11)7-9/h9-11H,3-8H2,1-2H3,(H2,15,16,17)/t9?,10?,11?,14-/m0/s1.
What are the key properties of (5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine?
(5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine has a molecular weight of 265.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-5-propyl-1,3-thiazolidine-2,4-diimine is sourced from PubChem (CID 176541730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).