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

C17H15FN4O4S2 — CID 90530671

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

N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 90530671) has the molecular formula C17H15FN4O4S2 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 90530671
• Molecular Formula: C17H15FN4O4S2
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.05
• IUPAC Name: N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2ccccc2F)CC3)no1
• InChI: InChI=1S/C17H15FN4O4S2/c1-10-8-13(21-26-10)16(23)20-17-19-12-6-7-22(9-14(12)27-17)28(24,25)15-5-3-2-4-11(15)18/h2-5,8H,6-7,9H2,1H3,(H,19,20,23)
• InChIKey: YGMRETMUSJLFIJ-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 90530671) is N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

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

The canonical SMILES for N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)c2ccccc2F)CC3)no1.

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

The InChIKey is YGMRETMUSJLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S2/c1-10-8-13(21-26-10)16(23)20-17-19-12-6-7-22(9-14(12)27-17)28(24,25)15-5-3-2-4-11(15)18/h2-5,8H,6-7,9H2,1H3,(H,19,20,23).

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

N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90530671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).