4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine

C12H17NS — CID 170144895

IUPAC4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine
SMILESC=C1C=C2SCCC2C(=C)N1C(C)C
InChIInChI=1S/C12H17NS/c1-8(2)13-9(3)7-12-11(10(13)4)5-6-14-12/h7-8,11H,3-6H2,1-2H3
InChIKeyLVHIQXYSTQVOGP-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.37
Rot. Bonds1

About 4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine

4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine (PubChem CID 170144895) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine
PubChem CID170144895
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine
SMILESC=C1C=C2SCCC2C(=C)N1C(C)C
InChIInChI=1S/C12H17NS/c1-8(2)13-9(3)7-12-11(10(13)4)5-6-14-12/h7-8,11H,3-6H2,1-2H3
InChIKeyLVHIQXYSTQVOGP-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine?
The IUPAC name of 4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine (CID 170144895) is 4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine.
What is the SMILES notation for 4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine?
The canonical SMILES for 4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine is C=C1C=C2SCCC2C(=C)N1C(C)C.
What is the InChIKey of 4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine?
The InChIKey is LVHIQXYSTQVOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-8(2)13-9(3)7-12-11(10(13)4)5-6-14-12/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine?
4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine has a molecular weight of 207.34 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylidene-5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine is sourced from PubChem (CID 170144895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).