2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol

C10H19N3OS — CID 65270930

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-5-7(6-14)11-9-12-8(13-15-9)10(2,3)4/h7,14H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyLRNRVULBJOTFGC-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.02
Rot. Bonds4

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

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (PubChem CID 65270930) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
PubChem CID65270930
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-5-7(6-14)11-9-12-8(13-15-9)10(2,3)4/h7,14H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyLRNRVULBJOTFGC-UHFFFAOYSA-N
XLogP2.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (CID 65270930) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is CCC(CO)Nc1nc(C(C)(C)C)ns1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The InChIKey is LRNRVULBJOTFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-5-7(6-14)11-9-12-8(13-15-9)10(2,3)4/h7,14H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 65270930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).