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

C12H12N4OS — CID 57053503

IUPAC4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide
SMILESCCC1NN=C(NC(=O)c2ccc(C#N)cc2)S1
InChIInChI=1S/C12H12N4OS/c1-2-10-15-16-12(18-10)14-11(17)9-5-3-8(7-13)4-6-9/h3-6,10,15H,2H2,1H3,(H,14,16,17)
InChIKeyRHKAPWKSAPFUTN-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.63
Rot. Bonds2

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

4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide (PubChem CID 57053503) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide
PubChem CID57053503
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide
SMILESCCC1NN=C(NC(=O)c2ccc(C#N)cc2)S1
InChIInChI=1S/C12H12N4OS/c1-2-10-15-16-12(18-10)14-11(17)9-5-3-8(7-13)4-6-9/h3-6,10,15H,2H2,1H3,(H,14,16,17)
InChIKeyRHKAPWKSAPFUTN-UHFFFAOYSA-N
XLogP1.63
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
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4-(4-cyanophenyl)-N-methylbenzamide
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ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
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N-(2-tert-butylphenyl)-4-cyanobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide (CID 57053503) is 4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide is CCC1NN=C(NC(=O)c2ccc(C#N)cc2)S1.
What is the InChIKey of 4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide?
The InChIKey is RHKAPWKSAPFUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-2-10-15-16-12(18-10)14-11(17)9-5-3-8(7-13)4-6-9/h3-6,10,15H,2H2,1H3,(H,14,16,17).
What are the key properties of 4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide?
4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide has a molecular weight of 260.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 57053503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).