N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine

C18H18N2S — CID 716478

IUPACN,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine
SMILESCC(C)n1c(-c2ccccc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C18H18N2S/c1-14(2)20-17(15-9-5-3-6-10-15)13-21-18(20)19-16-11-7-4-8-12-16/h3-14H,1-2H3/b19-18-
InChIKeyJBSMNIUXRLXEEH-HNENSFHCSA-N
MW294.42 g/mol
LogP5.03
Rot. Bonds3

About N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine

N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine (PubChem CID 716478) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine
PubChem CID716478
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine
SMILESCC(C)n1c(-c2ccccc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C18H18N2S/c1-14(2)20-17(15-9-5-3-6-10-15)13-21-18(20)19-16-11-7-4-8-12-16/h3-14H,1-2H3/b19-18-
InChIKeyJBSMNIUXRLXEEH-HNENSFHCSA-N
XLogP5.03
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine (CID 716478) is N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine is CC(C)n1c(-c2ccccc2)cs/c1=N\c1ccccc1.
What is the InChIKey of N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine?
The InChIKey is JBSMNIUXRLXEEH-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14(2)20-17(15-9-5-3-6-10-15)13-21-18(20)19-16-11-7-4-8-12-16/h3-14H,1-2H3/b19-18-.
What are the key properties of N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine?
N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine has a molecular weight of 294.42 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-3-propan-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 716478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).