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

C24H26N6O2S — CID 135319693

IUPACN-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1nc(C(C)(C)c2cnc3nc(N4CCCC4C(=O)NCc4ccccc4)sc3c2)no1
InChIInChI=1S/C24H26N6O2S/c1-15-27-22(29-32-15)24(2,3)17-12-19-20(25-14-17)28-23(33-19)30-11-7-10-18(30)21(31)26-13-16-8-5-4-6-9-16/h4-6,8-9,12,14,18H,7,10-11,13H2,1-3H3,(H,26,31)
InChIKeyGRDUQBQJIUVYGD-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.99
Rot. Bonds6

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

N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 135319693) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
PubChem CID135319693
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC NameN-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1nc(C(C)(C)c2cnc3nc(N4CCCC4C(=O)NCc4ccccc4)sc3c2)no1
InChIInChI=1S/C24H26N6O2S/c1-15-27-22(29-32-15)24(2,3)17-12-19-20(25-14-17)28-23(33-19)30-11-7-10-18(30)21(31)26-13-16-8-5-4-6-9-16/h4-6,8-9,12,14,18H,7,10-11,13H2,1-3H3,(H,26,31)
InChIKeyGRDUQBQJIUVYGD-UHFFFAOYSA-N
XLogP3.99
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-benzyl-1-[6-(2-cyanopropan-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
CID 135319479
(2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
CID 139355570
(2R)-N-benzyl-1-(6-ethyl-[1,3]thiazolo[4,5-b]pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 139355638
(2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 139355702
N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 135319603
N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 135319476
(2R)-N-benzyl-1-[7-ethyl-6-(1-methylimidazol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
CID 135319607
(2R)-N-benzyl-1-[7-(2-methoxyethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 129076249
(2R)-1-(6-cyano-[1,3]thiazolo[4,5-b]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 139355585
(2R)-N-benzyl-1-[7-(cyclopropylmethoxy)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 139355730
N-benzyl-1-[7-ethyl-5-(triazol-2-yl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 135319755
(2R)-N-benzyl-1-[7-(1-methylazetidin-3-yl)oxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 135319632

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (CID 135319693) is N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is Cc1nc(C(C)(C)c2cnc3nc(N4CCCC4C(=O)NCc4ccccc4)sc3c2)no1.
What is the InChIKey of N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is GRDUQBQJIUVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-15-27-22(29-32-15)24(2,3)17-12-19-20(25-14-17)28-23(33-19)30-11-7-10-18(30)21(31)26-13-16-8-5-4-6-9-16/h4-6,8-9,12,14,18H,7,10-11,13H2,1-3H3,(H,26,31).
What are the key properties of N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 135319693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).