N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide

C19H16FN3O3S — CID 27377854

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H16FN3O3S/c20-12-1-3-13(4-2-12)22-19-23-15(11-27-19)10-18(24)21-14-5-6-16-17(9-14)26-8-7-25-16/h1-6,9,11H,7-8,10H2,(H,21,24)(H,22,23)
InChIKeyLDGAVTHCZLUVLL-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.98
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 27377854) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID27377854
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H16FN3O3S/c20-12-1-3-13(4-2-12)22-19-23-15(11-27-19)10-18(24)21-14-5-6-16-17(9-14)26-8-7-25-16/h1-6,9,11H,7-8,10H2,(H,21,24)(H,22,23)
InChIKeyLDGAVTHCZLUVLL-UHFFFAOYSA-N
XLogP3.98
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (CID 27377854) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is LDGAVTHCZLUVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-12-1-3-13(4-2-12)22-19-23-15(11-27-19)10-18(24)21-14-5-6-16-17(9-14)26-8-7-25-16/h1-6,9,11H,7-8,10H2,(H,21,24)(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27377854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).