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

C6H9F2N3OS — CID 104862620

IUPAC2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCc1csnn1
InChIInChI=1S/C6H9F2N3OS/c7-6(8,4-12)3-9-1-5-2-13-11-10-5/h2,9,12H,1,3-4H2
InChIKeyLKBHBMFZWMSVLF-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.26
Rot. Bonds5

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

2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol (PubChem CID 104862620) has the molecular formula C6H9F2N3OS and a molecular weight of 209.22 g/mol. Its IUPAC name is 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol
PubChem CID104862620
Molecular FormulaC6H9F2N3OS
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCc1csnn1
InChIInChI=1S/C6H9F2N3OS/c7-6(8,4-12)3-9-1-5-2-13-11-10-5/h2,9,12H,1,3-4H2
InChIKeyLKBHBMFZWMSVLF-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663781
3,3,3-trifluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63226512
N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828537
2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 103083073
2,2,3,3-tetrafluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 103529554
1,1-Difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 103923463
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649
4,4,4-trifluoro-N-(thiadiazol-4-ylmethyl)butan-1-amine
CID 115516077
3-[Thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 115882732
N-(thiadiazol-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 115904722
1,1,1-Trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 115904995
2,2-Difluoro-3-{[(1,2,3-thiadiazol-4-yl)methyl]amino}propanoic acid
CID 165462327

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol (CID 104862620) is 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol is OCC(F)(F)CNCc1csnn1.
What is the InChIKey of 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol?
The InChIKey is LKBHBMFZWMSVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3OS/c7-6(8,4-12)3-9-1-5-2-13-11-10-5/h2,9,12H,1,3-4H2.
What are the key properties of 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol?
2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol has a molecular weight of 209.22 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol is sourced from PubChem (CID 104862620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).