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

C21H20N4O4S — CID 90526660

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

N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 90526660) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• PubChem CID: 90526660
• Molecular Formula: C21H20N4O4S
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.12
• IUPAC Name: N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
• SMILES: CC(=O)c1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1
• InChI: InChI=1S/C21H20N4O4S/c1-13(26)14-4-6-15(7-5-14)22-19(27)12-25-9-8-16-18(11-25)30-21(23-16)24-20(28)17-3-2-10-29-17/h2-7,10H,8-9,11-12H2,1H3,(H,22,27)(H,23,24,28)
• InChIKey: FVCKEQLJSHVKOM-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 90526660) is N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is CC(=O)c1ccc(NC(=O)CN2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1.

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

The InChIKey is FVCKEQLJSHVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-13(26)14-4-6-15(7-5-14)22-19(27)12-25-9-8-16-18(11-25)30-21(23-16)24-20(28)17-3-2-10-29-17/h2-7,10H,8-9,11-12H2,1H3,(H,22,27)(H,23,24,28).

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

N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 90526660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).