N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide

C19H18N4O3S2 — CID 50832532

About N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide

N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 50832532) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
• PubChem CID: 50832532
• Molecular Formula: C19H18N4O3S2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.08
• IUPAC Name: N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cccnc4)sc3C2)cc1
• InChI: InChI=1S/C19H18N4O3S2/c1-13-4-6-15(7-5-13)28(25,26)23-10-8-16-17(12-23)27-19(21-16)22-18(24)14-3-2-9-20-11-14/h2-7,9,11H,8,10,12H2,1H3,(H,21,22,24)
• InChIKey: CXTFNNAEWJBCGH-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide (CID 50832532) is N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cccnc4)sc3C2)cc1.

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

The InChIKey is CXTFNNAEWJBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-13-4-6-15(7-5-13)28(25,26)23-10-8-16-17(12-23)27-19(21-16)22-18(24)14-3-2-9-20-11-14/h2-7,9,11H,8,10,12H2,1H3,(H,21,22,24).

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

N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 50832532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).