4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide

C18H14N4O2S — CID 11068095

IUPAC4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(-n4ccnc4)cc3)cncc2s1
InChIInChI=1S/C18H14N4O2S/c1-19-18(23)16-8-14-15(9-21-10-17(14)25-16)24-13-4-2-12(3-5-13)22-7-6-20-11-22/h2-11H,1H3,(H,19,23)
InChIKeyLXJBCXBKCCFOCZ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.63
Rot. Bonds4

About 4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide

4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 11068095) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID11068095
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(-n4ccnc4)cc3)cncc2s1
InChIInChI=1S/C18H14N4O2S/c1-19-18(23)16-8-14-15(9-21-10-17(14)25-16)24-13-4-2-12(3-5-13)22-7-6-20-11-22/h2-11H,1H3,(H,19,23)
InChIKeyLXJBCXBKCCFOCZ-UHFFFAOYSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide (CID 11068095) is 4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(Oc3ccc(-n4ccnc4)cc3)cncc2s1.
What is the InChIKey of 4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is LXJBCXBKCCFOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-19-18(23)16-8-14-15(9-21-10-17(14)25-16)24-13-4-2-12(3-5-13)22-7-6-20-11-22/h2-11H,1H3,(H,19,23).
What are the key properties of 4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide?
4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylphenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 11068095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).