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

C18H15Cl2N3O4S2 — CID 90526817

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

N-[5-(2,4-dichloro-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 90526817) has the molecular formula C18H15Cl2N3O4S2 and a molecular weight of 472.38 g/mol. Its IUPAC name is N-[5-(2,4-dichloro-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2,4-dichloro-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• PubChem CID: 90526817
• Molecular Formula: C18H15Cl2N3O4S2
• Molecular Weight: 472.38 g/mol
• Exact Mass: 470.99
• IUPAC Name: N-[5-(2,4-dichloro-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• SMILES: Cc1cc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)c(Cl)cc1Cl
• InChI: InChI=1S/C18H15Cl2N3O4S2/c1-10-7-16(12(20)8-11(10)19)29(25,26)23-5-4-13-15(9-23)28-18(21-13)22-17(24)14-3-2-6-27-14/h2-3,6-8H,4-5,9H2,1H3,(H,21,22,24)
• InChIKey: WHCLZXUMVWJZKK-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.38
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-(2,4-dichloro-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 90526817) is N-[5-(2,4-dichloro-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[5-(2,4-dichloro-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is Cc1cc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)c(Cl)cc1Cl.

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

The InChIKey is WHCLZXUMVWJZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4S2/c1-10-7-16(12(20)8-11(10)19)29(25,26)23-5-4-13-15(9-23)28-18(21-13)22-17(24)14-3-2-6-27-14/h2-3,6-8H,4-5,9H2,1H3,(H,21,22,24).

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

N-[5-(2,4-dichloro-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 472.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,4-dichloro-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 90526817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).