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

C8H13F2N3OS — CID 104858477

IUPAC2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESCC(C)c1nsc(NCC(F)(F)CO)n1
InChIInChI=1S/C8H13F2N3OS/c1-5(2)6-12-7(15-13-6)11-3-8(9,10)4-14/h5,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyGRNRHZBQKCSXIE-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.70
Rot. Bonds5

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

2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (PubChem CID 104858477) has the molecular formula C8H13F2N3OS and a molecular weight of 237.27 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
PubChem CID104858477
Molecular FormulaC8H13F2N3OS
Molecular Weight237.27 g/mol
Exact Mass237.07
IUPAC Name2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESCC(C)c1nsc(NCC(F)(F)CO)n1
InChIInChI=1S/C8H13F2N3OS/c1-5(2)6-12-7(15-13-6)11-3-8(9,10)4-14/h5,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyGRNRHZBQKCSXIE-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]but-2-yn-1-ol
CID 132300947
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
3-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271025
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273982
3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274381
3-[[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol
CID 83959822
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103081427
N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151213
3-[2-(2,2-difluoroethoxy)ethyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 103151214
N-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151215
3-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-1,2,4-thiadiazol-5-amine
CID 103151216
3-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 103151217

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (CID 104858477) is 2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is CC(C)c1nsc(NCC(F)(F)CO)n1.
What is the InChIKey of 2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The InChIKey is GRNRHZBQKCSXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3OS/c1-5(2)6-12-7(15-13-6)11-3-8(9,10)4-14/h5,14H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
2,2-difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol has a molecular weight of 237.27 g/mol, XLogP of 1.70, 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-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 104858477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).