7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine

C16H11N3S2 — CID 71544373

IUPAC7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine
SMILESCc1ccncc1-c1ccnc2c(-c3nccs3)csc12
InChIInChI=1S/C16H11N3S2/c1-10-2-4-17-8-12(10)11-3-5-18-14-13(9-21-15(11)14)16-19-6-7-20-16/h2-9H,1H3
InChIKeyIYDNDVUHNURBAN-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.79
Rot. Bonds2

About 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine

7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine (PubChem CID 71544373) has the molecular formula C16H11N3S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine
PubChem CID71544373
Molecular FormulaC16H11N3S2
Molecular Weight309.42 g/mol
Exact Mass309.04
IUPAC Name7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine
SMILESCc1ccncc1-c1ccnc2c(-c3nccs3)csc12
InChIInChI=1S/C16H11N3S2/c1-10-2-4-17-8-12(10)11-3-5-18-14-13(9-21-15(11)14)16-19-6-7-20-16/h2-9H,1H3
InChIKeyIYDNDVUHNURBAN-UHFFFAOYSA-N
XLogP4.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine?
The IUPAC name of 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine (CID 71544373) is 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine.
What is the SMILES notation for 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine?
The canonical SMILES for 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine is Cc1ccncc1-c1ccnc2c(-c3nccs3)csc12.
What is the InChIKey of 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine?
The InChIKey is IYDNDVUHNURBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S2/c1-10-2-4-17-8-12(10)11-3-5-18-14-13(9-21-15(11)14)16-19-6-7-20-16/h2-9H,1H3.
What are the key properties of 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine?
7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine has a molecular weight of 309.42 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine is sourced from PubChem (CID 71544373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).