N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine

C17H20N2S — CID 136871766

IUPACN-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\Cc2cccc3ccccc23)N1
InChIInChI=1S/C17H20N2S/c1-12(2)16-11-20-17(19-16)18-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11H2,1-2H3,(H,18,19)
InChIKeyVYUDPVBMADGCJA-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.06
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine

N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136871766) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136871766
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\Cc2cccc3ccccc23)N1
InChIInChI=1S/C17H20N2S/c1-12(2)16-11-20-17(19-16)18-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11H2,1-2H3,(H,18,19)
InChIKeyVYUDPVBMADGCJA-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136871766) is N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)C1CS/C(=N\Cc2cccc3ccccc23)N1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is VYUDPVBMADGCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12(2)16-11-20-17(19-16)18-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12,16H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 284.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136871766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).