2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

C15H19N3OS — CID 942109

IUPAC2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(CC)C(=O)N(C)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-4-11(5-2)14(19)18(3)15-17-16-13(20-15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKeyVUCMJSCXABCKNR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.60
Rot. Bonds5

About 2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide

2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 942109) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID942109
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(CC)C(=O)N(C)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-4-11(5-2)14(19)18(3)15-17-16-13(20-15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKeyVUCMJSCXABCKNR-UHFFFAOYSA-N
XLogP3.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1451547
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N,2-dimethylpropanamide
CID 1444827
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108741998
N-ethyl-2-[ethyl-(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 133382765
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451754
N-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1444781
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbutanamide
CID 1451546
N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide
CID 3231183
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methyl-2-(4-propan-2-ylphenoxy)propanamide
CID 108764558
3-bromo-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108764498
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide (CID 942109) is 2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is CCC(CC)C(=O)N(C)c1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is VUCMJSCXABCKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-11(5-2)14(19)18(3)15-17-16-13(20-15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide?
2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 289.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 942109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).