N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

C20H19N3OS2 — CID 27837336

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (PubChem CID 27837336) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
• PubChem CID: 27837336
• Molecular Formula: C20H19N3OS2
• Molecular Weight: 381.53 g/mol
• Exact Mass: 381.10
• IUPAC Name: N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
• SMILES: CN1CCc2nc(NC(=O)c3cc4c(s3)-c3ccccc3CC4)sc2C1
• InChI: InChI=1S/C20H19N3OS2/c1-23-9-8-15-17(11-23)26-20(21-15)22-19(24)16-10-13-7-6-12-4-2-3-5-14(12)18(13)25-16/h2-5,10H,6-9,11H2,1H3,(H,21,22,24)
• InChIKey: REEWMWKNZROZNO-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.53
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?

The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (CID 27837336) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?

The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is CN1CCc2nc(NC(=O)c3cc4c(s3)-c3ccccc3CC4)sc2C1.

What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?

The InChIKey is REEWMWKNZROZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-23-9-8-15-17(11-23)26-20(21-15)22-19(24)16-10-13-7-6-12-4-2-3-5-14(12)18(13)25-16/h2-5,10H,6-9,11H2,1H3,(H,21,22,24).

What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 381.53 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 27837336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).