1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine

C18H21N3OS — CID 166251185

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine
SMILESCc1cccc2nc(CN(C)CC3OCCc4sccc43)cn12
InChIInChI=1S/C18H21N3OS/c1-13-4-3-5-18-19-14(11-21(13)18)10-20(2)12-16-15-7-9-23-17(15)6-8-22-16/h3-5,7,9,11,16H,6,8,10,12H2,1-2H3
InChIKeySVGPUGQLULNMOB-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.45
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine

1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine (PubChem CID 166251185) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine
PubChem CID166251185
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine
SMILESCc1cccc2nc(CN(C)CC3OCCc4sccc43)cn12
InChIInChI=1S/C18H21N3OS/c1-13-4-3-5-18-19-14(11-21(13)18)10-20(2)12-16-15-7-9-23-17(15)6-8-22-16/h3-5,7,9,11,16H,6,8,10,12H2,1-2H3
InChIKeySVGPUGQLULNMOB-UHFFFAOYSA-N
XLogP3.45
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine (CID 166251185) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine is Cc1cccc2nc(CN(C)CC3OCCc4sccc43)cn12.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine?
The InChIKey is SVGPUGQLULNMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13-4-3-5-18-19-14(11-21(13)18)10-20(2)12-16-15-7-9-23-17(15)6-8-22-16/h3-5,7,9,11,16H,6,8,10,12H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine?
1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine has a molecular weight of 327.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine is sourced from PubChem (CID 166251185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).