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

C15H16N2O3S — CID 4245044

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C15H16N2O3S/c1-2-3-14(18)17-15-16-11(9-21-15)10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17,18)
InChIKeyAPDZNCBMCKYUEF-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.32
Rot. Bonds4

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

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 4245044) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID4245044
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C15H16N2O3S/c1-2-3-14(18)17-15-16-11(9-21-15)10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17,18)
InChIKeyAPDZNCBMCKYUEF-UHFFFAOYSA-N
XLogP3.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.32
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]butanamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide (CID 4245044) is N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide is CCCC(=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]butanamide?
The InChIKey is APDZNCBMCKYUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-3-14(18)17-15-16-11(9-21-15)10-4-5-12-13(8-10)20-7-6-19-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,17,18).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 304.37 g/mol, XLogP of 3.32, 4 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]butanamide is sourced from PubChem (CID 4245044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).