4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C16H13N3O2S — CID 17492074

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)nc1
InChIInChI=1S/C16H13N3O2S/c1-2-6-17-15(3-1)19-16-18-12(10-22-16)11-4-5-13-14(9-11)21-8-7-20-13/h1-6,9-10H,7-8H2,(H,17,18,19)
InChIKeyFRGDAHYPOIJRHL-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.72
Rot. Bonds3

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 17492074) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID17492074
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)nc1
InChIInChI=1S/C16H13N3O2S/c1-2-6-17-15(3-1)19-16-18-12(10-22-16)11-4-5-13-14(9-11)21-8-7-20-13/h1-6,9-10H,7-8H2,(H,17,18,19)
InChIKeyFRGDAHYPOIJRHL-UHFFFAOYSA-N
XLogP3.72
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 17492074) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is c1ccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)nc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is FRGDAHYPOIJRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-2-6-17-15(3-1)19-16-18-12(10-22-16)11-4-5-13-14(9-11)21-8-7-20-13/h1-6,9-10H,7-8H2,(H,17,18,19).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 311.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 17492074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).