N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

C15H18N4O2S — CID 940795

IUPACN-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NCc2ccccc2)s1
InChIInChI=1S/C15H18N4O2S/c1-2-14-18-19-15(22-14)17-13(21)9-8-12(20)16-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyKZPAECKKBGOADB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.14
Rot. Bonds7

About N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 940795) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID940795
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NCc2ccccc2)s1
InChIInChI=1S/C15H18N4O2S/c1-2-14-18-19-15(22-14)17-13(21)9-8-12(20)16-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyKZPAECKKBGOADB-UHFFFAOYSA-N
XLogP2.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787323
2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3072301
N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 6483839
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400163
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 110024954
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
3-(2-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 120607869
N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide
CID 2005532
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 940795) is N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is CCc1nnc(NC(=O)CCC(=O)NCc2ccccc2)s1.
What is the InChIKey of N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is KZPAECKKBGOADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-2-14-18-19-15(22-14)17-13(21)9-8-12(20)16-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,20)(H,17,19,21).
What are the key properties of N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 318.40 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 940795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).