3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

C19H19N3S2 — CID 23884932

IUPAC3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(C)/N=c1\scc(-c2cccs2)n1N=C1CCc2ccccc21
InChIInChI=1S/C19H19N3S2/c1-13(2)20-19-22(17(12-24-19)18-8-5-11-23-18)21-16-10-9-14-6-3-4-7-15(14)16/h3-8,11-13H,9-10H2,1-2H3/b20-19-,21-16?
InChIKeyVXNRBLUBDWTAPU-WKFFZEIPSA-N
MW353.52 g/mol
LogP4.79
Rot. Bonds3

About 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23884932) has the molecular formula C19H19N3S2 and a molecular weight of 353.52 g/mol. Its IUPAC name is 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23884932
Molecular FormulaC19H19N3S2
Molecular Weight353.52 g/mol
Exact Mass353.10
IUPAC Name3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(C)/N=c1\scc(-c2cccs2)n1N=C1CCc2ccccc21
InChIInChI=1S/C19H19N3S2/c1-13(2)20-19-22(17(12-24-19)18-8-5-11-23-18)21-16-10-9-14-6-3-4-7-15(14)16/h3-8,11-13H,9-10H2,1-2H3/b20-19-,21-16?
InChIKeyVXNRBLUBDWTAPU-WKFFZEIPSA-N
XLogP4.79
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23884932) is 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is CC(C)/N=c1\scc(-c2cccs2)n1N=C1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is VXNRBLUBDWTAPU-WKFFZEIPSA-N. The full InChI is InChI=1S/C19H19N3S2/c1-13(2)20-19-22(17(12-24-19)18-8-5-11-23-18)21-16-10-9-14-6-3-4-7-15(14)16/h3-8,11-13H,9-10H2,1-2H3/b20-19-,21-16?.
What are the key properties of 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 353.52 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroinden-1-ylideneamino)-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23884932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).