2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine

C14H13N3S2 — CID 81261125

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(-c3cc4c(s3)CCSC4)[nH]c12
InChIInChI=1S/C14H13N3S2/c1-8-2-4-15-14-12(8)16-13(17-14)11-6-9-7-18-5-3-10(9)19-11/h2,4,6H,3,5,7H2,1H3,(H,15,16,17)
InChIKeyXMUGOYZTHPKLAE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.78
Rot. Bonds1

About 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine

2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 81261125) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID81261125
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(-c3cc4c(s3)CCSC4)[nH]c12
InChIInChI=1S/C14H13N3S2/c1-8-2-4-15-14-12(8)16-13(17-14)11-6-9-7-18-5-3-10(9)19-11/h2,4,6H,3,5,7H2,1H3,(H,15,16,17)
InChIKeyXMUGOYZTHPKLAE-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine (CID 81261125) is 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccnc2nc(-c3cc4c(s3)CCSC4)[nH]c12.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is XMUGOYZTHPKLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-8-2-4-15-14-12(8)16-13(17-14)11-6-9-7-18-5-3-10(9)19-11/h2,4,6H,3,5,7H2,1H3,(H,15,16,17).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 287.41 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81261125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).