2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine

C7H9NS — CID 164579808

IUPAC2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
SMILES[2H]C1CC2NC=CC=C2S1
InChIInChI=1S/C7H9NS/c1-2-7-6(8-4-1)3-5-9-7/h1-2,4,6,8H,3,5H2/i5D
InChIKeyWJFYLCXWEXZNHU-UICOGKGYSA-N
MW140.23 g/mol
LogP1.49
Rot. Bonds

About 2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine

2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine (PubChem CID 164579808) has the molecular formula C7H9NS and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
PubChem CID164579808
Molecular FormulaC7H9NS
Molecular Weight140.23 g/mol
Exact Mass140.05
IUPAC Name2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
SMILES[2H]C1CC2NC=CC=C2S1
InChIInChI=1S/C7H9NS/c1-2-7-6(8-4-1)3-5-9-7/h1-2,4,6,8H,3,5H2/i5D
InChIKeyWJFYLCXWEXZNHU-UICOGKGYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrobenzo[d]thiazole
CID 17950735
2,3,3a,7a-Tetrahydro-1,3-benzothiazole
CID 53430990
Tetrahydrothienopyridine
CID 66621461
Tetrahydrobenzothiazole hydrochloride
CID 129762460
5a,6-dihydro-5H-thieno[2,3-e]indole
CID 17947055
2-(Methylsulfanylmethyl)-1,2-dihydropyridine
CID 22156945
Acetonitrile;2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
CID 67100340
2-Methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
CID 67100810
2,3,3a,7a-Tetrahydro-1,3-benzothiazole-2,6-diamine
CID 67259186
Tetrahydrothienopyridine hydrochloride
CID 68420022
2,3,3a,7a-Tetrahydro-1,3-benzothiazole;dihydrochloride
CID 69578985
2,3,3a,4-Tetrahydrothieno[3,2-b]pyridine 1-oxide
CID 69827375

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine?
The IUPAC name of 2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine (CID 164579808) is 2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine.
What is the SMILES notation for 2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine?
The canonical SMILES for 2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine is [2H]C1CC2NC=CC=C2S1.
What is the InChIKey of 2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine?
The InChIKey is WJFYLCXWEXZNHU-UICOGKGYSA-N. The full InChI is InChI=1S/C7H9NS/c1-2-7-6(8-4-1)3-5-9-7/h1-2,4,6,8H,3,5H2/i5D.
What are the key properties of 2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine?
2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine has a molecular weight of 140.23 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine is sourced from PubChem (CID 164579808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).