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

C14H14N2O3S — CID 5079801

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C14H14N2O3S/c1-2-13(17)16-14-15-10(8-20-14)9-3-4-11-12(7-9)19-6-5-18-11/h3-4,7-8H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyAEXKUFOVNQVQLR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.93
Rot. Bonds3

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

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 5079801) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID5079801
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C14H14N2O3S/c1-2-13(17)16-14-15-10(8-20-14)9-3-4-11-12(7-9)19-6-5-18-11/h3-4,7-8H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyAEXKUFOVNQVQLR-UHFFFAOYSA-N
XLogP2.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide (CID 5079801) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is AEXKUFOVNQVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-13(17)16-14-15-10(8-20-14)9-3-4-11-12(7-9)19-6-5-18-11/h3-4,7-8H,2,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 290.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 5079801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).