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

C6H9F2N3OS — CID 104858511

IUPAC2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESCc1nsc(NCC(F)(F)CO)n1
InChIInChI=1S/C6H9F2N3OS/c1-4-10-5(13-11-4)9-2-6(7,8)3-12/h12H,2-3H2,1H3,(H,9,10,11)
InChIKeyWKLHSSDFPPPGCD-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.89
Rot. Bonds4

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

2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (PubChem CID 104858511) has the molecular formula C6H9F2N3OS and a molecular weight of 209.22 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
PubChem CID104858511
Molecular FormulaC6H9F2N3OS
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESCc1nsc(NCC(F)(F)CO)n1
InChIInChI=1S/C6H9F2N3OS/c1-4-10-5(13-11-4)9-2-6(7,8)3-12/h12H,2-3H2,1H3,(H,9,10,11)
InChIKeyWKLHSSDFPPPGCD-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (CID 104858511) is 2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is Cc1nsc(NCC(F)(F)CO)n1.
What is the InChIKey of 2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The InChIKey is WKLHSSDFPPPGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3OS/c1-4-10-5(13-11-4)9-2-6(7,8)3-12/h12H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol has a molecular weight of 209.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 104858511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).