N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide

C14H17N3O2S2 — CID 134010652

IUPACN,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide
SMILESCSCc1nnc(SCc2ccc(C(=O)N(C)C)cc2)o1
InChIInChI=1S/C14H17N3O2S2/c1-17(2)13(18)11-6-4-10(5-7-11)8-21-14-16-15-12(19-14)9-20-3/h4-7H,8-9H2,1-3H3
InChIKeyLMOBFLZYANEUDZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.93
Rot. Bonds6

About N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide

N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide (PubChem CID 134010652) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide
PubChem CID134010652
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide
SMILESCSCc1nnc(SCc2ccc(C(=O)N(C)C)cc2)o1
InChIInChI=1S/C14H17N3O2S2/c1-17(2)13(18)11-6-4-10(5-7-11)8-21-14-16-15-12(19-14)9-20-3/h4-7H,8-9H2,1-3H3
InChIKeyLMOBFLZYANEUDZ-UHFFFAOYSA-N
XLogP2.93
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 8708400
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N,N-dimethylbenzamide
CID 78761799
2-[4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]benzonitrile
CID 31157026
N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
CID 78766467
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
CID 8708398
4-fluoro-N-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502346
methyl 4-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
CID 38842983
4-(dimethylsulfamoyl)-N-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 18562154
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 18129288
3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile
CID 51289641
4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
CID 28564122
4-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
CID 6971143

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide (CID 134010652) is N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide is CSCc1nnc(SCc2ccc(C(=O)N(C)C)cc2)o1.
What is the InChIKey of N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide?
The InChIKey is LMOBFLZYANEUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-17(2)13(18)11-6-4-10(5-7-11)8-21-14-16-15-12(19-14)9-20-3/h4-7H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide?
N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 134010652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).