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

C7H11F3N4S2 — CID 63737811

IUPAC5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC(CN)C(F)(F)F)s1
InChIInChI=1S/C7H11F3N4S2/c1-14(2)5-12-13-6(16-5)15-4(3-11)7(8,9)10/h4H,3,11H2,1-2H3
InChIKeyKPODHWUHANWCOL-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.59
Rot. Bonds4

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

5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63737811) has the molecular formula C7H11F3N4S2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63737811
Molecular FormulaC7H11F3N4S2
Molecular Weight272.32 g/mol
Exact Mass272.04
IUPAC Name5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC(CN)C(F)(F)F)s1
InChIInChI=1S/C7H11F3N4S2/c1-14(2)5-12-13-6(16-5)15-4(3-11)7(8,9)10/h4H,3,11H2,1-2H3
InChIKeyKPODHWUHANWCOL-UHFFFAOYSA-N
XLogP1.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63737811) is 5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SC(CN)C(F)(F)F)s1.
What is the InChIKey of 5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KPODHWUHANWCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S2/c1-14(2)5-12-13-6(16-5)15-4(3-11)7(8,9)10/h4H,3,11H2,1-2H3.
What are the key properties of 5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 272.32 g/mol, XLogP of 1.59, 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-trifluoropropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).