3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

C19H26N4O3S2 — CID 78772858

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (PubChem CID 78772858) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
• PubChem CID: 78772858
• Molecular Formula: C19H26N4O3S2
• Molecular Weight: 422.58 g/mol
• Exact Mass: 422.14
• IUPAC Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
• SMILES: CCN1CCc2nc(NC(=O)CCNS(=O)(=O)c3cc(C)ccc3C)sc2C1
• InChI: InChI=1S/C19H26N4O3S2/c1-4-23-10-8-15-16(12-23)27-19(21-15)22-18(24)7-9-20-28(25,26)17-11-13(2)5-6-14(17)3/h5-6,11,20H,4,7-10,12H2,1-3H3,(H,21,22,24)
• InChIKey: LJTFMDBFJNZQIP-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.58
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?

The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (CID 78772858) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?

The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is CCN1CCc2nc(NC(=O)CCNS(=O)(=O)c3cc(C)ccc3C)sc2C1.

What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?

The InChIKey is LJTFMDBFJNZQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-4-23-10-8-15-16(12-23)27-19(21-15)22-18(24)7-9-20-28(25,26)17-11-13(2)5-6-14(17)3/h5-6,11,20H,4,7-10,12H2,1-3H3,(H,21,22,24).

What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide?

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide has a molecular weight of 422.58 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 78772858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).