6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine

C17H18N2O3S — CID 122205416

IUPAC6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(OC(C)C)snc3c2)cc1OC
InChIInChI=1S/C17H18N2O3S/c1-10(2)22-17-16-13(19-23-17)7-12(9-18-16)11-5-6-14(20-3)15(8-11)21-4/h5-10H,1-4H3
InChIKeySRDJIUFBPXBMLJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.16
Rot. Bonds5

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

6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 122205416) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine
PubChem CID122205416
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(OC(C)C)snc3c2)cc1OC
InChIInChI=1S/C17H18N2O3S/c1-10(2)22-17-16-13(19-23-17)7-12(9-18-16)11-5-6-14(20-3)15(8-11)21-4/h5-10H,1-4H3
InChIKeySRDJIUFBPXBMLJ-UHFFFAOYSA-N
XLogP4.16
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.16
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-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine (CID 122205416) is 6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine is COc1ccc(-c2cnc3c(OC(C)C)snc3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is SRDJIUFBPXBMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10(2)22-17-16-13(19-23-17)7-12(9-18-16)11-5-6-14(20-3)15(8-11)21-4/h5-10H,1-4H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine?
6-(3,4-dimethoxyphenyl)-3-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 330.41 g/mol, XLogP of 4.16, 5 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-propan-2-yloxy-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 122205416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).