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

C19H20N4OS — CID 139355596

IUPAC(2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc2c1
InChIInChI=1S/C19H20N4OS/c1-13-10-16-17(20-11-13)22-19(25-16)23-9-5-8-15(23)18(24)21-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyZCCBXHSGGAXBLG-OAHLLOKOSA-N
MW352.46 g/mol
LogP3.28
Rot. Bonds4

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

(2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 139355596) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide
PubChem CID139355596
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc2c1
InChIInChI=1S/C19H20N4OS/c1-13-10-16-17(20-11-13)22-19(25-16)23-9-5-8-15(23)18(24)21-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyZCCBXHSGGAXBLG-OAHLLOKOSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide (CID 139355596) is (2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide is Cc1cnc2nc(N3CCC[C@@H]3C(=O)NCc3ccccc3)sc2c1.
What is the InChIKey of (2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ZCCBXHSGGAXBLG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-10-16-17(20-11-13)22-19(25-16)23-9-5-8-15(23)18(24)21-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
(2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-1-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 139355596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).