N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C19H17N3O3S — CID 42466898

About N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 42466898) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 42466898
• Molecular Formula: C19H17N3O3S
• Molecular Weight: 367.43 g/mol
• Exact Mass: 367.10
• IUPAC Name: N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C19H17N3O3S/c23-17(20-14-7-6-12-3-1-4-13(12)9-14)10-15-11-26-19(21-15)22-18(24)16-5-2-8-25-16/h2,5-9,11H,1,3-4,10H2,(H,20,23)(H,21,22,24)
• InChIKey: YKGXRKHRFVWZRZ-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.43
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 42466898) is N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc2c(c1)CCC2.

What is the InChIKey of N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is YKGXRKHRFVWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-17(20-14-7-6-12-3-1-4-13(12)9-14)10-15-11-26-19(21-15)22-18(24)16-5-2-8-25-16/h2,5-9,11H,1,3-4,10H2,(H,20,23)(H,21,22,24).

What are the key properties of N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42466898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).