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

C6H9F2N3OS — CID 103894632

IUPAC1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCc1nsc(NCC(O)C(F)F)n1
InChIInChI=1S/C6H9F2N3OS/c1-3-10-6(13-11-3)9-2-4(12)5(7)8/h4-5,12H,2H2,1H3,(H,9,10,11)
InChIKeyWPKOEPOZYMLUJG-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.88
Rot. Bonds4

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

1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 103894632) has the molecular formula C6H9F2N3OS and a molecular weight of 209.22 g/mol. Its IUPAC name is 1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID103894632
Molecular FormulaC6H9F2N3OS
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCc1nsc(NCC(O)C(F)F)n1
InChIInChI=1S/C6H9F2N3OS/c1-3-10-6(13-11-3)9-2-4(12)5(7)8/h4-5,12H,2H2,1H3,(H,9,10,11)
InChIKeyWPKOEPOZYMLUJG-UHFFFAOYSA-N
XLogP0.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.88
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-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 103894632) is 1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is Cc1nsc(NCC(O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is WPKOEPOZYMLUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3OS/c1-3-10-6(13-11-3)9-2-4(12)5(7)8/h4-5,12H,2H2,1H3,(H,9,10,11).
What are the key properties of 1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1,1-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 209.22 g/mol, XLogP of 0.88, 4 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-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 103894632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).