2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide

C12H19N5OS — CID 53009563

IUPAC2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide
SMILESCCCc1nnc2sc(NC(=O)C(CC)CC)nn12
InChIInChI=1S/C12H19N5OS/c1-4-7-9-14-15-12-17(9)16-11(19-12)13-10(18)8(5-2)6-3/h8H,4-7H2,1-3H3,(H,13,16,18)
InChIKeyWBXIJHBXUQKFBX-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.51
Rot. Bonds6

About 2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide

2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide (PubChem CID 53009563) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide
PubChem CID53009563
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide
SMILESCCCc1nnc2sc(NC(=O)C(CC)CC)nn12
InChIInChI=1S/C12H19N5OS/c1-4-7-9-14-15-12-17(9)16-11(19-12)13-10(18)8(5-2)6-3/h8H,4-7H2,1-3H3,(H,13,16,18)
InChIKeyWBXIJHBXUQKFBX-UHFFFAOYSA-N
XLogP2.51
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 53095690
3-methyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517719
2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
CID 53095747
(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)hydrazine
CID 91679130
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
CID 1080641
2-ethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3357171
(2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide
CID 51607018
2,2-dimethyl-N-[3-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
CID 17219550
3-ethyl-N-(propan-2-ylideneamino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 91687144
4-propan-2-yloxy-N-[4-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17219645
N-[3-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17219502
6-[(4-methylphenyl)methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56869406

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide?
The IUPAC name of 2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide (CID 53009563) is 2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide is CCCc1nnc2sc(NC(=O)C(CC)CC)nn12.
What is the InChIKey of 2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide?
The InChIKey is WBXIJHBXUQKFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-4-7-9-14-15-12-17(9)16-11(19-12)13-10(18)8(5-2)6-3/h8H,4-7H2,1-3H3,(H,13,16,18).
What are the key properties of 2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide?
2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide has a molecular weight of 281.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide is sourced from PubChem (CID 53009563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).