N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C11H11N3OS — CID 569586

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C11H11N3OS/c1-2-9-13-14-11(16-9)12-10(15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14,15)
InChIKeyKYHJEDVPYDGHQI-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.35
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 569586) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID569586
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C11H11N3OS/c1-2-9-13-14-11(16-9)12-10(15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14,15)
InChIKeyKYHJEDVPYDGHQI-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 953455
4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44412060
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 803498
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3669135
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 7095467
Ethanone, 2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-1-phenyl-
CID 3053005
2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1097674
N-(1,3,4-Thiadiazol-2-yl)benzamide
CID 569548
2,2-Dimethyl-N-(5-phenethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 821488

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 569586) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is KYHJEDVPYDGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-2-9-13-14-11(16-9)12-10(15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 233.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 569586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).