4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C14H15NOS — CID 2736769

IUPAC4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCOc1ccc(C2NCCc3sccc32)cc1
InChIInChI=1S/C14H15NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3
InChIKeyYZMKEDMYYJQGRD-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.99
Rot. Bonds2

About 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 2736769) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID2736769
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCOc1ccc(C2NCCc3sccc32)cc1
InChIInChI=1S/C14H15NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3
InChIKeyYZMKEDMYYJQGRD-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 2736769) is 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is COc1ccc(C2NCCc3sccc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is YZMKEDMYYJQGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 245.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 2736769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).