1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol

C6H9F2N3OS — CID 103923463

IUPAC1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
SMILESOC(CNCc1csnn1)C(F)F
InChIInChI=1S/C6H9F2N3OS/c7-6(8)5(12)2-9-1-4-3-13-11-10-4/h3,5-6,9,12H,1-2H2
InChIKeyMUFUREDZAJYMAR-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.25
Rot. Bonds5

About 1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol

1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol (PubChem CID 103923463) has the molecular formula C6H9F2N3OS and a molecular weight of 209.22 g/mol. Its IUPAC name is 1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
PubChem CID103923463
Molecular FormulaC6H9F2N3OS
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
SMILESOC(CNCc1csnn1)C(F)F
InChIInChI=1S/C6H9F2N3OS/c7-6(8)5(12)2-9-1-4-3-13-11-10-4/h3,5-6,9,12H,1-2H2
InChIKeyMUFUREDZAJYMAR-UHFFFAOYSA-N
XLogP0.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.25
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-(thiadiazol-4-ylmethylamino)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol (CID 103923463) is 1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol is OC(CNCc1csnn1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
The InChIKey is MUFUREDZAJYMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3OS/c7-6(8)5(12)2-9-1-4-3-13-11-10-4/h3,5-6,9,12H,1-2H2.
What are the key properties of 1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
1,1-difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol has a molecular weight of 209.22 g/mol, XLogP of 0.25, 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-(thiadiazol-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 103923463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).