N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide

C17H15N3O5S — CID 42146259

About N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 42146259) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
• PubChem CID: 42146259
• Molecular Formula: C17H15N3O5S
• Molecular Weight: 373.39 g/mol
• Exact Mass: 373.07
• IUPAC Name: N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
• SMILES: C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3
• InChI: InChI=1S/C17H15N3O5S/c1-9(18-16(22)11-3-2-4-23-11)15(21)20-17-19-10-7-12-13(8-14(10)26-17)25-6-5-24-12/h2-4,7-9H,5-6H2,1H3,(H,18,22)(H,19,20,21)/t9-/m1/s1
• InChIKey: KESFGMLNRNIGDY-SECBINFHSA-N
• XLogP: 2.42
• TPSA: 102.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.39
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide (CID 42146259) is N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3.

What is the InChIKey of N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide?

The InChIKey is KESFGMLNRNIGDY-SECBINFHSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-9(18-16(22)11-3-2-4-23-11)15(21)20-17-19-10-7-12-13(8-14(10)26-17)25-6-5-24-12/h2-4,7-9H,5-6H2,1H3,(H,18,22)(H,19,20,21)/t9-/m1/s1.

What are the key properties of N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide?

N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42146259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).