2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C16H19N3O3S2 — CID 16548026

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)CSc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C16H19N3O3S2/c1-10(2)7-15-18-19-16(24-15)17-14(20)9-23-11-3-4-12-13(8-11)22-6-5-21-12/h3-4,8,10H,5-7,9H2,1-2H3,(H,17,19,20)
InChIKeyNUJJKSMWFBFCQG-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.24
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 16548026) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID16548026
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)CSc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C16H19N3O3S2/c1-10(2)7-15-18-19-16(24-15)17-14(20)9-23-11-3-4-12-13(8-11)22-6-5-21-12/h3-4,8,10H,5-7,9H2,1-2H3,(H,17,19,20)
InChIKeyNUJJKSMWFBFCQG-UHFFFAOYSA-N
XLogP3.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 26068314
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide
CID 24647753
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 46265500
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
CID 2606705
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35539045
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 29433713
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 46528847
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 18106874
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(6-methyl-2-pyridinyl)acetamide
CID 18107184
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pentan-3-ylacetamide
CID 7457789
3-(1,3-benzodioxol-5-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 895601
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750525

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 16548026) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)CSc2ccc3c(c2)OCCO3)s1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is NUJJKSMWFBFCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-10(2)7-15-18-19-16(24-15)17-14(20)9-23-11-3-4-12-13(8-11)22-6-5-21-12/h3-4,8,10H,5-7,9H2,1-2H3,(H,17,19,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 16548026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).