1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine

C16H23N3S — CID 66203482

IUPAC1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine
SMILESc1ccc2c(c1)SCCC2N1CCN(C2CNC2)CC1
InChIInChI=1S/C16H23N3S/c1-2-4-16-14(3-1)15(5-10-20-16)19-8-6-18(7-9-19)13-11-17-12-13/h1-4,13,15,17H,5-12H2
InChIKeyHVEIWSZLXMDXFZ-UHFFFAOYSA-N
MW289.45 g/mol
LogP1.81
Rot. Bonds2

About 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine

1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine (PubChem CID 66203482) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine
PubChem CID66203482
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine
SMILESc1ccc2c(c1)SCCC2N1CCN(C2CNC2)CC1
InChIInChI=1S/C16H23N3S/c1-2-4-16-14(3-1)15(5-10-20-16)19-8-6-18(7-9-19)13-11-17-12-13/h1-4,13,15,17H,5-12H2
InChIKeyHVEIWSZLXMDXFZ-UHFFFAOYSA-N
XLogP1.81
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine (CID 66203482) is 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine is c1ccc2c(c1)SCCC2N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine?
The InChIKey is HVEIWSZLXMDXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-4-16-14(3-1)15(5-10-20-16)19-8-6-18(7-9-19)13-11-17-12-13/h1-4,13,15,17H,5-12H2.
What are the key properties of 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine?
1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine has a molecular weight of 289.45 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(3,4-dihydro-2H-thiochromen-4-yl)piperazine is sourced from PubChem (CID 66203482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).