N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide

C17H17N5O4S — CID 56765082

About N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide

N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 56765082) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• PubChem CID: 56765082
• Molecular Formula: C17H17N5O4S
• Molecular Weight: 387.42 g/mol
• Exact Mass: 387.10
• IUPAC Name: N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• SMILES: COc1nn(C)cc1C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1
• InChI: InChI=1S/C17H17N5O4S/c1-21-8-10(15(20-21)25-2)16(24)22-6-5-11-13(9-22)27-17(18-11)19-14(23)12-4-3-7-26-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,19,23)
• InChIKey: CNFIKAUSZNRZJG-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 102.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.42
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 56765082) is N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is COc1nn(C)cc1C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1.

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

The InChIKey is CNFIKAUSZNRZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-21-8-10(15(20-21)25-2)16(24)22-6-5-11-13(9-22)27-17(18-11)19-14(23)12-4-3-7-26-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,19,23).

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

N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 56765082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).