phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate

C18H17N3O2S — CID 155922377

IUPACphenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESCc1cnc2nc([C@@H]3CCCN3C(=O)Oc3ccccc3)sc2c1
InChIInChI=1S/C18H17N3O2S/c1-12-10-15-16(19-11-12)20-17(24-15)14-8-5-9-21(14)18(22)23-13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9H2,1H3/t14-/m0/s1
InChIKeyCGQXKJPTFJMTDH-AWEZNQCLSA-N
MW339.42 g/mol
LogP4.34
Rot. Bonds2

About phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate

phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 155922377) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate
PubChem CID155922377
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Namephenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESCc1cnc2nc([C@@H]3CCCN3C(=O)Oc3ccccc3)sc2c1
InChIInChI=1S/C18H17N3O2S/c1-12-10-15-16(19-11-12)20-17(24-15)14-8-5-9-21(14)18(22)23-13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9H2,1H3/t14-/m0/s1
InChIKeyCGQXKJPTFJMTDH-AWEZNQCLSA-N
XLogP4.34
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate (CID 155922377) is phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate is Cc1cnc2nc([C@@H]3CCCN3C(=O)Oc3ccccc3)sc2c1.
What is the InChIKey of phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is CGQXKJPTFJMTDH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-10-15-16(19-11-12)20-17(24-15)14-8-5-9-21(14)18(22)23-13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9H2,1H3/t14-/m0/s1.
What are the key properties of phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 155922377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).