6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine

C18H14N2O2S2 — CID 90466337

IUPAC6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(-c4ccsc4)snc3c2)cc1OC
InChIInChI=1S/C18H14N2O2S2/c1-21-15-4-3-11(8-16(15)22-2)13-7-14-17(19-9-13)18(24-20-14)12-5-6-23-10-12/h3-10H,1-2H3
InChIKeyZFMHTDKHSBIAEB-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.10
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine

6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 90466337) has the molecular formula C18H14N2O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
PubChem CID90466337
Molecular FormulaC18H14N2O2S2
Molecular Weight354.46 g/mol
Exact Mass354.05
IUPAC Name6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(-c4ccsc4)snc3c2)cc1OC
InChIInChI=1S/C18H14N2O2S2/c1-21-15-4-3-11(8-16(15)22-2)13-7-14-17(19-9-13)18(24-20-14)12-5-6-23-10-12/h3-10H,1-2H3
InChIKeyZFMHTDKHSBIAEB-UHFFFAOYSA-N
XLogP5.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine (CID 90466337) is 6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine is COc1ccc(-c2cnc3c(-c4ccsc4)snc3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is ZFMHTDKHSBIAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S2/c1-21-15-4-3-11(8-16(15)22-2)13-7-14-17(19-9-13)18(24-20-14)12-5-6-23-10-12/h3-10H,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine?
6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 354.46 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 90466337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).