N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide

C18H22N4O3S2 — CID 90530814

About N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide

N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide (PubChem CID 90530814) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide.

Molecular Properties

• Compound Name: N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide
• PubChem CID: 90530814
• Molecular Formula: C18H22N4O3S2
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.11
• IUPAC Name: N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide
• SMILES: CN(C)c1ccc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)cc1
• InChI: InChI=1S/C18H22N4O3S2/c1-21(2)13-5-3-12(4-6-13)17(23)20-18-19-15-9-10-22(11-16(15)26-18)27(24,25)14-7-8-14/h3-6,14H,7-11H2,1-2H3,(H,19,20,23)
• InChIKey: CNDZJSBNUSRHAL-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide?

The IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide (CID 90530814) is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide.

What is the SMILES notation for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide?

The canonical SMILES for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)cc1.

What is the InChIKey of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide?

The InChIKey is CNDZJSBNUSRHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c1-21(2)13-5-3-12(4-6-13)17(23)20-18-19-15-9-10-22(11-16(15)26-18)27(24,25)14-7-8-14/h3-6,14H,7-11H2,1-2H3,(H,19,20,23).

What are the key properties of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide?

N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide has a molecular weight of 406.53 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 90530814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).