1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

C21H20N2O4S — CID 55780223

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 55780223) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
• PubChem CID: 55780223
• Molecular Formula: C21H20N2O4S
• Molecular Weight: 396.47 g/mol
• Exact Mass: 396.11
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
• SMILES: O=C(Nc1nc(-c2ccco2)cs1)C1(c2ccc3c(c2)OCCO3)CCCC1
• InChI: InChI=1S/C21H20N2O4S/c24-19(23-20-22-15(13-28-20)16-4-3-9-25-16)21(7-1-2-8-21)14-5-6-17-18(12-14)27-11-10-26-17/h3-6,9,12-13H,1-2,7-8,10-11H2,(H,22,23,24)
• InChIKey: USDZPYFDENYXDS-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.47
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide (CID 55780223) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is O=C(Nc1nc(-c2ccco2)cs1)C1(c2ccc3c(c2)OCCO3)CCCC1.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?

The InChIKey is USDZPYFDENYXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c24-19(23-20-22-15(13-28-20)16-4-3-9-25-16)21(7-1-2-8-21)14-5-6-17-18(12-14)27-11-10-26-17/h3-6,9,12-13H,1-2,7-8,10-11H2,(H,22,23,24).

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55780223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).