3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol

C9H17N3OS — CID 65277510

IUPAC3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol
SMILESCC(C)(C)c1nsc(C(CN)CO)n1
InChIInChI=1S/C9H17N3OS/c1-9(2,3)8-11-7(14-12-8)6(4-10)5-13/h6,13H,4-5,10H2,1-3H3
InChIKeyCMDUNULSOAPXFL-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.87
Rot. Bonds3

About 3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol

3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol (PubChem CID 65277510) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol
PubChem CID65277510
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol
SMILESCC(C)(C)c1nsc(C(CN)CO)n1
InChIInChI=1S/C9H17N3OS/c1-9(2,3)8-11-7(14-12-8)6(4-10)5-13/h6,13H,4-5,10H2,1-3H3
InChIKeyCMDUNULSOAPXFL-UHFFFAOYSA-N
XLogP0.87
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol (CID 65277510) is 3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol is CC(C)(C)c1nsc(C(CN)CO)n1.
What is the InChIKey of 3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol?
The InChIKey is CMDUNULSOAPXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-9(2,3)8-11-7(14-12-8)6(4-10)5-13/h6,13H,4-5,10H2,1-3H3.
What are the key properties of 3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol?
3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 65277510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).