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

C10H17N3OS — CID 741742

IUPAC2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCc1nnc(NC(=O)C(CC)CC)s1
InChIInChI=1S/C10H17N3OS/c1-4-7(5-2)9(14)11-10-13-12-8(6-3)15-10/h7H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyBBGROUKQGUKOFA-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.48
Rot. Bonds5

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

2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 741742) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID741742
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCc1nnc(NC(=O)C(CC)CC)s1
InChIInChI=1S/C10H17N3OS/c1-4-7(5-2)9(14)11-10-13-12-8(6-3)15-10/h7H,4-6H2,1-3H3,(H,11,13,14)
InChIKeyBBGROUKQGUKOFA-UHFFFAOYSA-N
XLogP2.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 702044
N-[5-(2-Methoxy-ethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide
CID 2021787
N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
CID 2470137
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 702129
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 839902
Propionamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-
CID 213280
Propionamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-
CID 3065345
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
CID 655064
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 769203
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 847063
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 3101011
3-cyclohexyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 889545

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide (CID 741742) is 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide is CCc1nnc(NC(=O)C(CC)CC)s1.
What is the InChIKey of 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is BBGROUKQGUKOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-7(5-2)9(14)11-10-13-12-8(6-3)15-10/h7H,4-6H2,1-3H3,(H,11,13,14).
What are the key properties of 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide?
2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 227.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 741742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).