N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide

C17H13FN2O3S — CID 7597342

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C17H13FN2O3S/c18-11-3-1-10(2-4-11)7-16(21)20-17-19-12-8-13-14(9-15(12)24-17)23-6-5-22-13/h1-4,8-9H,5-7H2,(H,19,20,21)
InChIKeyCVHVUBWQOKPYHM-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.39
Rot. Bonds3

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 7597342) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID7597342
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C17H13FN2O3S/c18-11-3-1-10(2-4-11)7-16(21)20-17-19-12-8-13-14(9-15(12)24-17)23-6-5-22-13/h1-4,8-9H,5-7H2,(H,19,20,21)
InChIKeyCVHVUBWQOKPYHM-UHFFFAOYSA-N
XLogP3.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide (CID 7597342) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is CVHVUBWQOKPYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c18-11-3-1-10(2-4-11)7-16(21)20-17-19-12-8-13-14(9-15(12)24-17)23-6-5-22-13/h1-4,8-9H,5-7H2,(H,19,20,21).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7597342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).