N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine

C6H8F3N3S — CID 130847209

IUPACN-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(Nc1ncns1)C(F)(F)F
InChIInChI=1S/C6H8F3N3S/c1-5(2,6(7,8)9)12-4-10-3-11-13-4/h3H,1-2H3,(H,10,11,12)
InChIKeyCDWCYDBUUUEHCD-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.29
Rot. Bonds2

About N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine

N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 130847209) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID130847209
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(Nc1ncns1)C(F)(F)F
InChIInChI=1S/C6H8F3N3S/c1-5(2,6(7,8)9)12-4-10-3-11-13-4/h3H,1-2H3,(H,10,11,12)
InChIKeyCDWCYDBUUUEHCD-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 130847209) is N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine is CC(C)(Nc1ncns1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CDWCYDBUUUEHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-5(2,6(7,8)9)12-4-10-3-11-13-4/h3H,1-2H3,(H,10,11,12).
What are the key properties of N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130847209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).