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

C13H19N5OS — CID 110401207

IUPACN-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1nn2c(C3CC3)nnc2s1
InChIInChI=1S/C13H19N5OS/c1-13(2,3)11(19)14-7-6-9-17-18-10(8-4-5-8)15-16-12(18)20-9/h8H,4-7H2,1-3H3,(H,14,19)
InChIKeyFZDBUPCRBPYJFS-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.77
Rot. Bonds4

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

N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 110401207) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID110401207
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1nn2c(C3CC3)nnc2s1
InChIInChI=1S/C13H19N5OS/c1-13(2,3)11(19)14-7-6-9-17-18-10(8-4-5-8)15-16-12(18)20-9/h8H,4-7H2,1-3H3,(H,14,19)
InChIKeyFZDBUPCRBPYJFS-UHFFFAOYSA-N
XLogP1.77
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110401255
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]furan-2-carboxamide
CID 110401210
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide
CID 110401241
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3,4-dimethoxybenzamide
CID 110401232
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3,4-difluorobenzamide
CID 110401260
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110401282
5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3,3-dimethylpentan-1-amine
CID 114355934
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-piperidin-1-ylpropan-1-one
CID 110385811
6-(chloromethyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355979
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354481
N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine
CID 114354348
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110401298

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide (CID 110401207) is N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1nn2c(C3CC3)nnc2s1.
What is the InChIKey of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is FZDBUPCRBPYJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-13(2,3)11(19)14-7-6-9-17-18-10(8-4-5-8)15-16-12(18)20-9/h8H,4-7H2,1-3H3,(H,14,19).
What are the key properties of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide?
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 293.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110401207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).