2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

C20H17N5O3S — CID 55764054

About 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 55764054) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
• PubChem CID: 55764054
• Molecular Formula: C20H17N5O3S
• Molecular Weight: 407.46 g/mol
• Exact Mass: 407.11
• IUPAC Name: 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
• SMILES: Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccccc2-n2cccn2)cs1
• InChI: InChI=1S/C20H17N5O3S/c1-13-15(7-10-28-13)19(27)24-20-22-14(12-29-20)11-18(26)23-16-5-2-3-6-17(16)25-9-4-8-21-25/h2-10,12H,11H2,1H3,(H,23,26)(H,22,24,27)
• InChIKey: ARYSDBNVTRNPRI-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 102.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.46
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

The IUPAC name of 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (CID 55764054) is 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

The canonical SMILES for 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccccc2-n2cccn2)cs1.

What is the InChIKey of 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

The InChIKey is ARYSDBNVTRNPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-13-15(7-10-28-13)19(27)24-20-22-14(12-29-20)11-18(26)23-16-5-2-3-6-17(16)25-9-4-8-21-25/h2-10,12H,11H2,1H3,(H,23,26)(H,22,24,27).

What are the key properties of 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?

2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55764054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).