(2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide

C21H20N6O2S — CID 135319618

IUPAC(2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1nc(-c2cnc3nc(N4CCC[C@@H]4C(=O)NCc4ccccc4)sc3c2)no1
InChIInChI=1S/C21H20N6O2S/c1-13-24-18(26-29-13)15-10-17-19(22-12-15)25-21(30-17)27-9-5-8-16(27)20(28)23-11-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11H2,1H3,(H,23,28)/t16-/m1/s1
InChIKeyVTBUOUGOJHWPRC-MRXNPFEDSA-N
MW420.50 g/mol
LogP3.33
Rot. Bonds5

About (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide

(2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 135319618) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
PubChem CID135319618
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name(2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1nc(-c2cnc3nc(N4CCC[C@@H]4C(=O)NCc4ccccc4)sc3c2)no1
InChIInChI=1S/C21H20N6O2S/c1-13-24-18(26-29-13)15-10-17-19(22-12-15)25-21(30-17)27-9-5-8-16(27)20(28)23-11-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11H2,1H3,(H,23,28)/t16-/m1/s1
InChIKeyVTBUOUGOJHWPRC-MRXNPFEDSA-N
XLogP3.33
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (CID 135319618) is (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is Cc1nc(-c2cnc3nc(N4CCC[C@@H]4C(=O)NCc4ccccc4)sc3c2)no1.
What is the InChIKey of (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is VTBUOUGOJHWPRC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-13-24-18(26-29-13)15-10-17-19(22-12-15)25-21(30-17)27-9-5-8-16(27)20(28)23-11-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11H2,1H3,(H,23,28)/t16-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
(2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 135319618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).