3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol

C8H16N4OS — CID 106198156

IUPAC3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nc(N)ns1
InChIInChI=1S/C8H16N4OS/c1-7(2,8(3,4)13)11-6-10-5(9)12-14-6/h13H,1-4H3,(H3,9,10,11,12)
InChIKeyNMMZZTYHENGEKX-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.08
Rot. Bonds3

About 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol

3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106198156) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106198156
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nc(N)ns1
InChIInChI=1S/C8H16N4OS/c1-7(2,8(3,4)13)11-6-10-5(9)12-14-6/h13H,1-4H3,(H3,9,10,11,12)
InChIKeyNMMZZTYHENGEKX-UHFFFAOYSA-N
XLogP1.08
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol (CID 106198156) is 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1nc(N)ns1.
What is the InChIKey of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is NMMZZTYHENGEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-7(2,8(3,4)13)11-6-10-5(9)12-14-6/h13H,1-4H3,(H3,9,10,11,12).
What are the key properties of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 216.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106198156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).