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

C22H23N5O3S — CID 71788013

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

N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (PubChem CID 71788013) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
• PubChem CID: 71788013
• Molecular Formula: C22H23N5O3S
• Molecular Weight: 437.53 g/mol
• Exact Mass: 437.15
• IUPAC Name: N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
• SMILES: Cc1c(C(=O)N2CCc3nc(NC(=O)C4CCCO4)sc3C2)cnn1-c1ccccc1
• InChI: InChI=1S/C22H23N5O3S/c1-14-16(12-23-27(14)15-6-3-2-4-7-15)21(29)26-10-9-17-19(13-26)31-22(24-17)25-20(28)18-8-5-11-30-18/h2-4,6-7,12,18H,5,8-11,13H2,1H3,(H,24,25,28)
• InChIKey: VHGYGNRQMFBANG-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 89.35 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	437.53
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (CID 71788013) is N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.

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

The canonical SMILES for N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is Cc1c(C(=O)N2CCc3nc(NC(=O)C4CCCO4)sc3C2)cnn1-c1ccccc1.

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

The InChIKey is VHGYGNRQMFBANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-14-16(12-23-27(14)15-6-3-2-4-7-15)21(29)26-10-9-17-19(13-26)31-22(24-17)25-20(28)18-8-5-11-30-18/h2-4,6-7,12,18H,5,8-11,13H2,1H3,(H,24,25,28).

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

N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 71788013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).