2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine

C16H14N2OS — CID 167768126

IUPAC2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc(OCC2CC2)cc(-c2nc3cnccc3s2)c1
InChIInChI=1S/C16H14N2OS/c1-2-12(8-13(3-1)19-10-11-4-5-11)16-18-14-9-17-7-6-15(14)20-16/h1-3,6-9,11H,4-5,10H2
InChIKeyIPVZXJDHMCVCNA-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.15
Rot. Bonds4

About 2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine

2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 167768126) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID167768126
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine
SMILESc1cc(OCC2CC2)cc(-c2nc3cnccc3s2)c1
InChIInChI=1S/C16H14N2OS/c1-2-12(8-13(3-1)19-10-11-4-5-11)16-18-14-9-17-7-6-15(14)20-16/h1-3,6-9,11H,4-5,10H2
InChIKeyIPVZXJDHMCVCNA-UHFFFAOYSA-N
XLogP4.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine (CID 167768126) is 2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine is c1cc(OCC2CC2)cc(-c2nc3cnccc3s2)c1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is IPVZXJDHMCVCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-2-12(8-13(3-1)19-10-11-4-5-11)16-18-14-9-17-7-6-15(14)20-16/h1-3,6-9,11H,4-5,10H2.
What are the key properties of 2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine?
2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 282.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 167768126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).