3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen

C21H27N5O3S3 — CID 159648913

About 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen

3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen (PubChem CID 159648913) has the molecular formula C21H27N5O3S3 and a molecular weight of 493.68 g/mol. Its IUPAC name is 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen
• PubChem CID: 159648913
• Molecular Formula: C21H27N5O3S3
• Molecular Weight: 493.68 g/mol
• Exact Mass: 493.13
• IUPAC Name: 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen
• SMILES: O=C(CCN1CC2(C1)CS(=O)(=O)C2)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2.[H][H].[H][H]
• InChI: InChI=1S/C21H23N5O3S3.2H2/c27-17(3-6-26-9-21(10-26)11-32(28,29)12-21)25-20-18(13-1-4-23-8-16(13)31-20)19-24-14-7-22-5-2-15(14)30-19;;/h2,5,7,23H,1,3-4,6,8-12H2,(H,25,27);2*1H
• InChIKey: MRHWKXIGCLTIPX-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.68
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen?

The IUPAC name of 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen (CID 159648913) is 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen.

What is the SMILES notation for 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen?

The canonical SMILES for 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen is O=C(CCN1CC2(C1)CS(=O)(=O)C2)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2.[H][H].[H][H].

What is the InChIKey of 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen?

The InChIKey is MRHWKXIGCLTIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S3.2H2/c27-17(3-6-26-9-21(10-26)11-32(28,29)12-21)25-20-18(13-1-4-23-8-16(13)31-20)19-24-14-7-22-5-2-15(14)30-19;;/h2,5,7,23H,1,3-4,6,8-12H2,(H,25,27);2*1H.

What are the key properties of 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen?

3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen has a molecular weight of 493.68 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;molecular hydrogen is sourced from PubChem (CID 159648913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).