2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine

C14H13N3OS — CID 67896732

IUPAC2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESC=CCOc1csc(C)c1-c1nc2ccncc2[nH]1
InChIInChI=1S/C14H13N3OS/c1-3-6-18-12-8-19-9(2)13(12)14-16-10-4-5-15-7-11(10)17-14/h3-5,7-8H,1,6H2,2H3,(H,16,17)
InChIKeyLZKQQLLLINVJNZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.56
Rot. Bonds4

About 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine

2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 67896732) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID67896732
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESC=CCOc1csc(C)c1-c1nc2ccncc2[nH]1
InChIInChI=1S/C14H13N3OS/c1-3-6-18-12-8-19-9(2)13(12)14-16-10-4-5-15-7-11(10)17-14/h3-5,7-8H,1,6H2,2H3,(H,16,17)
InChIKeyLZKQQLLLINVJNZ-UHFFFAOYSA-N
XLogP3.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine (CID 67896732) is 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine is C=CCOc1csc(C)c1-c1nc2ccncc2[nH]1.
What is the InChIKey of 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is LZKQQLLLINVJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-3-6-18-12-8-19-9(2)13(12)14-16-10-4-5-15-7-11(10)17-14/h3-5,7-8H,1,6H2,2H3,(H,16,17).
What are the key properties of 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 271.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 67896732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).