1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C15H20N4OS — CID 163310489

IUPAC1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1nc(CN2CCC3(CC2)OCCc2ccsc23)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-11-16-13(18-17-11)10-19-6-4-15(5-7-19)14-12(2-8-20-15)3-9-21-14/h3,9H,2,4-8,10H2,1H3,(H,16,17,18)
InChIKeySJFFRVZRGXFGEM-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.24
Rot. Bonds2

About 1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 163310489) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID163310489
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1nc(CN2CCC3(CC2)OCCc2ccsc23)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-11-16-13(18-17-11)10-19-6-4-15(5-7-19)14-12(2-8-20-15)3-9-21-14/h3,9H,2,4-8,10H2,1H3,(H,16,17,18)
InChIKeySJFFRVZRGXFGEM-UHFFFAOYSA-N
XLogP2.24
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] 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'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 163310489) is 1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Cc1nc(CN2CCC3(CC2)OCCc2ccsc23)n[nH]1.
What is the InChIKey of 1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is SJFFRVZRGXFGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-16-13(18-17-11)10-19-6-4-15(5-7-19)14-12(2-8-20-15)3-9-21-14/h3,9H,2,4-8,10H2,1H3,(H,16,17,18).
What are the key properties of 1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 304.42 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 163310489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).