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

C22H19N5O3S — CID 71788034

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

N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 71788034) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• PubChem CID: 71788034
• Molecular Formula: C22H19N5O3S
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.12
• IUPAC Name: N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• SMILES: Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1
• InChI: InChI=1S/C22H19N5O3S/c1-26-17(12-16(25-26)14-6-3-2-4-7-14)21(29)27-10-9-15-19(13-27)31-22(23-15)24-20(28)18-8-5-11-30-18/h2-8,11-12H,9-10,13H2,1H3,(H,23,24,28)
• InChIKey: DDZCGOCDZHNFAY-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 71788034) is N-[5-(1-methyl-3-phenylpyrazole-5-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-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1.

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

The InChIKey is DDZCGOCDZHNFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-26-17(12-16(25-26)14-6-3-2-4-7-14)21(29)27-10-9-15-19(13-27)31-22(23-15)24-20(28)18-8-5-11-30-18/h2-8,11-12H,9-10,13H2,1H3,(H,23,24,28).

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

N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-methyl-3-phenylpyrazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 71788034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).