N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide

C13H14N4O2S2 — CID 2532520

IUPACN,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSc2nncs2)cc1
InChIInChI=1S/C13H14N4O2S2/c1-17(2)12(19)9-3-5-10(6-4-9)15-11(18)7-20-13-16-14-8-21-13/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyVCSACEFMWNMLEE-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.97
Rot. Bonds5

About N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide

N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide (PubChem CID 2532520) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
PubChem CID2532520
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC NameN,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSc2nncs2)cc1
InChIInChI=1S/C13H14N4O2S2/c1-17(2)12(19)9-3-5-10(6-4-9)15-11(18)7-20-13-16-14-8-21-13/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyVCSACEFMWNMLEE-UHFFFAOYSA-N
XLogP1.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
CID 78766467
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 35987370
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507663
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
4-[[2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 9105285
N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7499720
N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4799847
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N-[4-(1-adamantylmethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 166814742
4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7847490
N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 2674057

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide (CID 2532520) is N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)CSc2nncs2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide?
The InChIKey is VCSACEFMWNMLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-17(2)12(19)9-3-5-10(6-4-9)15-11(18)7-20-13-16-14-8-21-13/h3-6,8H,7H2,1-2H3,(H,15,18).
What are the key properties of N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide has a molecular weight of 322.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 2532520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).