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

C8H13F2N3OS — CID 103894635

IUPAC1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(C)c1nsc(NCC(O)C(F)F)n1
InChIInChI=1S/C8H13F2N3OS/c1-4(2)7-12-8(15-13-7)11-3-5(14)6(9)10/h4-6,14H,3H2,1-2H3,(H,11,12,13)
InChIKeyWJSVKRUIJASDIT-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.70
Rot. Bonds5

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

1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 103894635) has the molecular formula C8H13F2N3OS and a molecular weight of 237.27 g/mol. Its IUPAC name is 1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID103894635
Molecular FormulaC8H13F2N3OS
Molecular Weight237.27 g/mol
Exact Mass237.07
IUPAC Name1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(C)c1nsc(NCC(O)C(F)F)n1
InChIInChI=1S/C8H13F2N3OS/c1-4(2)7-12-8(15-13-7)11-3-5(14)6(9)10/h4-6,14H,3H2,1-2H3,(H,11,12,13)
InChIKeyWJSVKRUIJASDIT-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 103894635) is 1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CC(C)c1nsc(NCC(O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is WJSVKRUIJASDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3OS/c1-4(2)7-12-8(15-13-7)11-3-5(14)6(9)10/h4-6,14H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 237.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 103894635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).