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

C8H13F3N4S2 — CID 63737462

IUPAC5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(N)C(Sc1nnc(N(C)C)s1)C(F)(F)F
InChIInChI=1S/C8H13F3N4S2/c1-4(12)5(8(9,10)11)16-7-14-13-6(17-7)15(2)3/h4-5H,12H2,1-3H3
InChIKeyDASPELNDPJFYQR-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.97
Rot. Bonds4

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

5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63737462) has the molecular formula C8H13F3N4S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63737462
Molecular FormulaC8H13F3N4S2
Molecular Weight286.35 g/mol
Exact Mass286.05
IUPAC Name5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(N)C(Sc1nnc(N(C)C)s1)C(F)(F)F
InChIInChI=1S/C8H13F3N4S2/c1-4(12)5(8(9,10)11)16-7-14-13-6(17-7)15(2)3/h4-5H,12H2,1-3H3
InChIKeyDASPELNDPJFYQR-UHFFFAOYSA-N
XLogP1.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63737462) is 5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CC(N)C(Sc1nnc(N(C)C)s1)C(F)(F)F.
What is the InChIKey of 5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DASPELNDPJFYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S2/c1-4(12)5(8(9,10)11)16-7-14-13-6(17-7)15(2)3/h4-5H,12H2,1-3H3.
What are the key properties of 5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(3-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 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1,1,1-trifluorobutan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).