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

C23H26N4O2S — CID 139355570

IUPAC(2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(C3CCOCC3)cc2s1
InChIInChI=1S/C23H26N4O2S/c28-22(25-14-16-5-2-1-3-6-16)19-7-4-10-27(19)23-26-21-20(30-23)13-18(15-24-21)17-8-11-29-12-9-17/h1-3,5-6,13,15,17,19H,4,7-12,14H2,(H,25,28)/t19-/m1/s1
InChIKeyXTYXBBPHHLIFBK-LJQANCHMSA-N
MW422.55 g/mol
LogP3.87
Rot. Bonds5

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

(2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 139355570) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is (2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
PubChem CID139355570
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name(2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(C3CCOCC3)cc2s1
InChIInChI=1S/C23H26N4O2S/c28-22(25-14-16-5-2-1-3-6-16)19-7-4-10-27(19)23-26-21-20(30-23)13-18(15-24-21)17-8-11-29-12-9-17/h1-3,5-6,13,15,17,19H,4,7-12,14H2,(H,25,28)/t19-/m1/s1
InChIKeyXTYXBBPHHLIFBK-LJQANCHMSA-N
XLogP3.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide (CID 139355570) is (2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(C3CCOCC3)cc2s1.
What is the InChIKey of (2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is XTYXBBPHHLIFBK-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N4O2S/c28-22(25-14-16-5-2-1-3-6-16)19-7-4-10-27(19)23-26-21-20(30-23)13-18(15-24-21)17-8-11-29-12-9-17/h1-3,5-6,13,15,17,19H,4,7-12,14H2,(H,25,28)/t19-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide?
(2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-1-[6-(oxan-4-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 139355570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).