N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide

C12H13N3OS2 — CID 78766467

IUPACN,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
SMILESCN(C)C(=O)c1ccc(CSc2nncs2)cc1
InChIInChI=1S/C12H13N3OS2/c1-15(2)11(16)10-5-3-9(4-6-10)7-17-12-14-13-8-18-12/h3-6,8H,7H2,1-2H3
InChIKeyTXJBBWYBTUVXTR-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.53
Rot. Bonds4

About N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide

N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide (PubChem CID 78766467) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
PubChem CID78766467
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
SMILESCN(C)C(=O)c1ccc(CSc2nncs2)cc1
InChIInChI=1S/C12H13N3OS2/c1-15(2)11(16)10-5-3-9(4-6-10)7-17-12-14-13-8-18-12/h3-6,8H,7H2,1-2H3
InChIKeyTXJBBWYBTUVXTR-UHFFFAOYSA-N
XLogP2.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 2532520
pyrrolidin-1-yl-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)phenyl]methanone
CID 47096381
2-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 47096414
N-(4-fluorophenyl)-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide
CID 11382379
4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide
CID 63358698
N,N-dimethyl-4-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide
CID 134010652
4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]-N,N-dimethylbenzamide
CID 22486809
(2R)-1-(4-ethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 8934282
N,N-dimethyl-3-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide
CID 55989183
1-(4-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413959
1-(4-tert-butylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 52890591
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N,N-dimethylbenzamide
CID 78761799

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide (CID 78766467) is N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide is CN(C)C(=O)c1ccc(CSc2nncs2)cc1.
What is the InChIKey of N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide?
The InChIKey is TXJBBWYBTUVXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-15(2)11(16)10-5-3-9(4-6-10)7-17-12-14-13-8-18-12/h3-6,8H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide?
N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide has a molecular weight of 279.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 78766467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).