N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C19H17N3O4S2 — CID 24550817

About N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 24550817) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 24550817
• Molecular Formula: C19H17N3O4S2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.07
• IUPAC Name: N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
• SMILES: Cc1nc(-c2ccc(CNC(=O)CNC(=O)c3ccc4c(c3)OCO4)s2)cs1
• InChI: InChI=1S/C19H17N3O4S2/c1-11-22-14(9-27-11)17-5-3-13(28-17)7-20-18(23)8-21-19(24)12-2-4-15-16(6-12)26-10-25-15/h2-6,9H,7-8,10H2,1H3,(H,20,23)(H,21,24)
• InChIKey: JHSGGDVINMLFEQ-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 24550817) is N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is Cc1nc(-c2ccc(CNC(=O)CNC(=O)c3ccc4c(c3)OCO4)s2)cs1.

What is the InChIKey of N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is JHSGGDVINMLFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-11-22-14(9-27-11)17-5-3-13(28-17)7-20-18(23)8-21-19(24)12-2-4-15-16(6-12)26-10-25-15/h2-6,9H,7-8,10H2,1H3,(H,20,23)(H,21,24).

What are the key properties of N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?

N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 24550817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).