5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C8H13F3N4S2 — CID 63737142

IUPAC5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC(CCN)C(F)(F)F)s1
InChIInChI=1S/C8H13F3N4S2/c1-15(2)6-13-14-7(17-6)16-5(3-4-12)8(9,10)11/h5H,3-4,12H2,1-2H3
InChIKeyPEVRARNLRDRDRF-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.98
Rot. Bonds5

About 5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63737142) has the molecular formula C8H13F3N4S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63737142
Molecular FormulaC8H13F3N4S2
Molecular Weight286.35 g/mol
Exact Mass286.05
IUPAC Name5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC(CCN)C(F)(F)F)s1
InChIInChI=1S/C8H13F3N4S2/c1-15(2)6-13-14-7(17-6)16-5(3-4-12)8(9,10)11/h5H,3-4,12H2,1-2H3
InChIKeyPEVRARNLRDRDRF-UHFFFAOYSA-N
XLogP1.98
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63737142) is 5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SC(CCN)C(F)(F)F)s1.
What is the InChIKey of 5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PEVRARNLRDRDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S2/c1-15(2)6-13-14-7(17-6)16-5(3-4-12)8(9,10)11/h5H,3-4,12H2,1-2H3.
What are the key properties of 5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 286.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).