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

C5H6F3N3S — CID 130848375

IUPACN-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1ncns1)C(F)(F)F
InChIInChI=1S/C5H6F3N3S/c1-3(5(6,7)8)11-4-9-2-10-12-4/h2-3H,1H3,(H,9,10,11)
InChIKeyBFWZTFQIDMQISX-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.90
Rot. Bonds2

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

N-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 130848375) has the molecular formula C5H6F3N3S and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID130848375
Molecular FormulaC5H6F3N3S
Molecular Weight197.19 g/mol
Exact Mass197.02
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1ncns1)C(F)(F)F
InChIInChI=1S/C5H6F3N3S/c1-3(5(6,7)8)11-4-9-2-10-12-4/h2-3H,1H3,(H,9,10,11)
InChIKeyBFWZTFQIDMQISX-UHFFFAOYSA-N
XLogP1.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.90
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-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 130848375) is N-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine is CC(Nc1ncns1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BFWZTFQIDMQISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-3(5(6,7)8)11-4-9-2-10-12-4/h2-3H,1H3,(H,9,10,11).
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.19 g/mol, XLogP of 1.90, 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-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130848375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).