2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C12H19NS — CID 122503344

IUPAC2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCc1cc2c(s1)CCN(C(C)C)C2
InChIInChI=1S/C12H19NS/c1-4-11-7-10-8-13(9(2)3)6-5-12(10)14-11/h7,9H,4-6,8H2,1-3H3
InChIKeyNVFQEMGBYNUNJQ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.08
Rot. Bonds2

About 2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine

2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 122503344) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID122503344
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCc1cc2c(s1)CCN(C(C)C)C2
InChIInChI=1S/C12H19NS/c1-4-11-7-10-8-13(9(2)3)6-5-12(10)14-11/h7,9H,4-6,8H2,1-3H3
InChIKeyNVFQEMGBYNUNJQ-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 122503344) is 2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCc1cc2c(s1)CCN(C(C)C)C2.
What is the InChIKey of 2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is NVFQEMGBYNUNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-11-7-10-8-13(9(2)3)6-5-12(10)14-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 209.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 122503344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).