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

C8H12F3N3OS — CID 103736428

IUPAC1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(C)c1nsc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3OS/c1-4(2)6-13-7(16-14-6)12-3-5(15)8(9,10)11/h4-5,15H,3H2,1-2H3,(H,12,13,14)
InChIKeySPUJWBVIVWCEOR-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.00
Rot. Bonds4

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

1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 103736428) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID103736428
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCC(C)c1nsc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C8H12F3N3OS/c1-4(2)6-13-7(16-14-6)12-3-5(15)8(9,10)11/h4-5,15H,3H2,1-2H3,(H,12,13,14)
InChIKeySPUJWBVIVWCEOR-UHFFFAOYSA-N
XLogP2.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 103736428) is 1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CC(C)c1nsc(NCC(O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is SPUJWBVIVWCEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-4(2)6-13-7(16-14-6)12-3-5(15)8(9,10)11/h4-5,15H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 255.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 103736428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).