2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine

C16H15N3S — CID 71256374

IUPAC2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3ccc(N4CCCC4)nc3s2)cc1
InChIInChI=1S/C16H15N3S/c1-2-6-12(7-3-1)15-17-13-8-9-14(18-16(13)20-15)19-10-4-5-11-19/h1-3,6-9H,4-5,10-11H2
InChIKeyTYGMCWXCVMVZJV-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.96
Rot. Bonds2

About 2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine

2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 71256374) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID71256374
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3ccc(N4CCCC4)nc3s2)cc1
InChIInChI=1S/C16H15N3S/c1-2-6-12(7-3-1)15-17-13-8-9-14(18-16(13)20-15)19-10-4-5-11-19/h1-3,6-9H,4-5,10-11H2
InChIKeyTYGMCWXCVMVZJV-UHFFFAOYSA-N
XLogP3.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine (CID 71256374) is 2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine is c1ccc(-c2nc3ccc(N4CCCC4)nc3s2)cc1.
What is the InChIKey of 2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is TYGMCWXCVMVZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-6-12(7-3-1)15-17-13-8-9-14(18-16(13)20-15)19-10-4-5-11-19/h1-3,6-9H,4-5,10-11H2.
What are the key properties of 2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine?
2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 281.38 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 71256374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).