2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C9H13NS — CID 53213679

IUPAC2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCc1cc2c(s1)C(C)NCC2
InChIInChI=1S/C9H13NS/c1-6-5-8-3-4-10-7(2)9(8)11-6/h5,7,10H,3-4H2,1-2H3
InChIKeyVKDVTNAFFUBFIK-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.26
Rot. Bonds

About 2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 53213679) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID53213679
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCc1cc2c(s1)C(C)NCC2
InChIInChI=1S/C9H13NS/c1-6-5-8-3-4-10-7(2)9(8)11-6/h5,7,10H,3-4H2,1-2H3
InChIKeyVKDVTNAFFUBFIK-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 53213679) is 2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is Cc1cc2c(s1)C(C)NCC2.
What is the InChIKey of 2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is VKDVTNAFFUBFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-6-5-8-3-4-10-7(2)9(8)11-6/h5,7,10H,3-4H2,1-2H3.
What are the key properties of 2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 167.28 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 53213679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).