3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol

C9H15F2N3OS — CID 104952840

IUPAC3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC(C)(C)c1nsc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H15F2N3OS/c1-8(2,3)6-13-7(16-14-6)12-4-9(10,11)5-15/h15H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyLUODZBSUFOHBSZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.88
Rot. Bonds4

About 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104952840) has the molecular formula C9H15F2N3OS and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104952840
Molecular FormulaC9H15F2N3OS
Molecular Weight251.30 g/mol
Exact Mass251.09
IUPAC Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC(C)(C)c1nsc(NCC(F)(F)CO)n1
InChIInChI=1S/C9H15F2N3OS/c1-8(2,3)6-13-7(16-14-6)12-4-9(10,11)5-15/h15H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyLUODZBSUFOHBSZ-UHFFFAOYSA-N
XLogP1.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol with MolForge

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Related Compounds

(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 124738378
3-tert-butyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271023
3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273980
3-tert-butyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274379
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
N-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151218
3-[2-(2,2-difluoroethoxy)ethyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103151219
N-(2-methylpropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151222
3-[2-(2,2-difluoroethoxy)ethyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 103151223
1,1,1-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103702775

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol (CID 104952840) is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol is CC(C)(C)c1nsc(NCC(F)(F)CO)n1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is LUODZBSUFOHBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3OS/c1-8(2,3)6-13-7(16-14-6)12-4-9(10,11)5-15/h15H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol?
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 251.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104952840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).