3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine

C13H14F3N3OS — CID 133359085

IUPAC3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCc2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H14F3N3OS/c1-8(2)11-18-12(21-19-11)17-7-9-5-3-4-6-10(9)20-13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18,19)
InChIKeyHRFAYDSEXCCLHG-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.17
Rot. Bonds5

About 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine

3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133359085) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133359085
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC Name3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCc2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H14F3N3OS/c1-8(2)11-18-12(21-19-11)17-7-9-5-3-4-6-10(9)20-13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18,19)
InChIKeyHRFAYDSEXCCLHG-UHFFFAOYSA-N
XLogP4.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine 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

N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133370013
3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65276920
2-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-b]pyridazin-8-amine;hydrochloride
CID 175954154
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2,3,5,6-tetrafluoro-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 133370814
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133335499
N-[(3-methylphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271290
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
5-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 171705268
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
N-[[2-(trifluoromethoxy)phenyl]methyl]thiophen-3-amine
CID 66352968

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine (CID 133359085) is 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCc2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is HRFAYDSEXCCLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c1-8(2)11-18-12(21-19-11)17-7-9-5-3-4-6-10(9)20-13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18,19).
What are the key properties of 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 317.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133359085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).