N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

C19H24N4O2S2 — CID 90527077

About N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 90527077) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• PubChem CID: 90527077
• Molecular Formula: C19H24N4O2S2
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.13
• IUPAC Name: N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(CC(=O)N1CCCCCC1)CC2)c1cccs1
• InChI: InChI=1S/C19H24N4O2S2/c24-17(23-8-3-1-2-4-9-23)13-22-10-7-14-16(12-22)27-19(20-14)21-18(25)15-6-5-11-26-15/h5-6,11H,1-4,7-10,12-13H2,(H,20,21,25)
• InChIKey: KSHAZYNKLPRNFH-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (CID 90527077) is N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is O=C(Nc1nc2c(s1)CN(CC(=O)N1CCCCCC1)CC2)c1cccs1.

What is the InChIKey of N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The InChIKey is KSHAZYNKLPRNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c24-17(23-8-3-1-2-4-9-23)13-22-10-7-14-16(12-22)27-19(20-14)21-18(25)15-6-5-11-26-15/h5-6,11H,1-4,7-10,12-13H2,(H,20,21,25).

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

N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90527077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).