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

C6H8F3N3OS — CID 103702775

IUPAC1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCc1nsc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3OS/c1-3-11-5(14-12-3)10-2-4(13)6(7,8)9/h4,13H,2H2,1H3,(H,10,11,12)
InChIKeySNSKTEGWTHUUGO-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.18
Rot. Bonds3

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

1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 103702775) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID103702775
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCc1nsc(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3OS/c1-3-11-5(14-12-3)10-2-4(13)6(7,8)9/h4,13H,2H2,1H3,(H,10,11,12)
InChIKeySNSKTEGWTHUUGO-UHFFFAOYSA-N
XLogP1.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.18
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-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 103702775) is 1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is Cc1nsc(NCC(O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is SNSKTEGWTHUUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c1-3-11-5(14-12-3)10-2-4(13)6(7,8)9/h4,13H,2H2,1H3,(H,10,11,12).
What are the key properties of 1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 227.21 g/mol, XLogP of 1.18, 3 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-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 103702775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).