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

C19H21N3OS2 — CID 110503331

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

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-propyl-1-benzothiophene-2-carboxamide (PubChem CID 110503331) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-propyl-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-propyl-1-benzothiophene-2-carboxamide
• PubChem CID: 110503331
• Molecular Formula: C19H21N3OS2
• Molecular Weight: 371.53 g/mol
• Exact Mass: 371.11
• IUPAC Name: N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-propyl-1-benzothiophene-2-carboxamide
• SMILES: CCCc1c(C(=O)Nc2nc3c(s2)CN(C)CC3)sc2ccccc12
• InChI: InChI=1S/C19H21N3OS2/c1-3-6-13-12-7-4-5-8-15(12)24-17(13)18(23)21-19-20-14-9-10-22(2)11-16(14)25-19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,21,23)
• InChIKey: KXLYUVRIRBWYHO-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.53
LogP ≤ 5	4.55
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)-3-propyl-1-benzothiophene-2-carboxamide?

The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-propyl-1-benzothiophene-2-carboxamide (CID 110503331) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-propyl-1-benzothiophene-2-carboxamide.

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

The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-propyl-1-benzothiophene-2-carboxamide is CCCc1c(C(=O)Nc2nc3c(s2)CN(C)CC3)sc2ccccc12.

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

The InChIKey is KXLYUVRIRBWYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-3-6-13-12-7-4-5-8-15(12)24-17(13)18(23)21-19-20-14-9-10-22(2)11-16(14)25-19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,21,23).

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

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-propyl-1-benzothiophene-2-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.55, 4 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)-3-propyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110503331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).