N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C9H16FN3S — CID 131197493

IUPACN-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC(C)(C)CF)n1
InChIInChI=1S/C9H16FN3S/c1-6(2)7-11-8(14-13-7)12-9(3,4)5-10/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyGPJCSPWQNRJSGH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.82
Rot. Bonds4

About N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 131197493) has the molecular formula C9H16FN3S and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID131197493
Molecular FormulaC9H16FN3S
Molecular Weight217.31 g/mol
Exact Mass217.10
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC(C)(C)CF)n1
InChIInChI=1S/C9H16FN3S/c1-6(2)7-11-8(14-13-7)12-9(3,4)5-10/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyGPJCSPWQNRJSGH-UHFFFAOYSA-N
XLogP2.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 131197493) is N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NC(C)(C)CF)n1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is GPJCSPWQNRJSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3S/c1-6(2)7-11-8(14-13-7)12-9(3,4)5-10/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 217.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131197493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).