2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide

C8H14N4OS — CID 114912239

IUPAC2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide
SMILESCCC(C)(CN)C(=O)Nc1cnns1
InChIInChI=1S/C8H14N4OS/c1-3-8(2,5-9)7(13)11-6-4-10-12-14-6/h4H,3,5,9H2,1-2H3,(H,11,13)
InChIKeyMNOQGFMTQSVDBQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.85
Rot. Bonds4

About 2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide

2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide (PubChem CID 114912239) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide
PubChem CID114912239
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide
SMILESCCC(C)(CN)C(=O)Nc1cnns1
InChIInChI=1S/C8H14N4OS/c1-3-8(2,5-9)7(13)11-6-4-10-12-14-6/h4H,3,5,9H2,1-2H3,(H,11,13)
InChIKeyMNOQGFMTQSVDBQ-UHFFFAOYSA-N
XLogP0.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide (CID 114912239) is 2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide is CCC(C)(CN)C(=O)Nc1cnns1.
What is the InChIKey of 2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide?
The InChIKey is MNOQGFMTQSVDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-8(2,5-9)7(13)11-6-4-10-12-14-6/h4H,3,5,9H2,1-2H3,(H,11,13).
What are the key properties of 2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide?
2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide has a molecular weight of 214.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide is sourced from PubChem (CID 114912239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).