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

C16H17N3O4S — CID 24818334

IUPAC3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C16H17N3O4S/c1-10(20)17-5-4-15(21)19-16-18-12(9-24-16)11-2-3-13-14(8-11)23-7-6-22-13/h2-3,8-9H,4-7H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyURJNTINCBJRWOT-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.05
Rot. Bonds5

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

3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 24818334) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID24818334
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C16H17N3O4S/c1-10(20)17-5-4-15(21)19-16-18-12(9-24-16)11-2-3-13-14(8-11)23-7-6-22-13/h2-3,8-9H,4-7H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyURJNTINCBJRWOT-UHFFFAOYSA-N
XLogP2.05
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide (CID 24818334) is 3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide is CC(=O)NCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of 3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is URJNTINCBJRWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10(20)17-5-4-15(21)19-16-18-12(9-24-16)11-2-3-13-14(8-11)23-7-6-22-13/h2-3,8-9H,4-7H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of 3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide?
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 347.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 24818334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).