N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine

C9H15F3N4S2 — CID 63738033

IUPACN,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(CNCC(F)(F)F)Sc1nnc(N(C)C)s1
InChIInChI=1S/C9H15F3N4S2/c1-6(4-13-5-9(10,11)12)17-8-15-14-7(18-8)16(2)3/h6,13H,4-5H2,1-3H3
InChIKeyLEBUXCHATKUNJN-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.24
Rot. Bonds6

About N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine

N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 63738033) has the molecular formula C9H15F3N4S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID63738033
Molecular FormulaC9H15F3N4S2
Molecular Weight300.38 g/mol
Exact Mass300.07
IUPAC NameN,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(CNCC(F)(F)F)Sc1nnc(N(C)C)s1
InChIInChI=1S/C9H15F3N4S2/c1-6(4-13-5-9(10,11)12)17-8-15-14-7(18-8)16(2)3/h6,13H,4-5H2,1-3H3
InChIKeyLEBUXCHATKUNJN-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 63738033) is N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(CNCC(F)(F)F)Sc1nnc(N(C)C)s1.
What is the InChIKey of N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LEBUXCHATKUNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S2/c1-6(4-13-5-9(10,11)12)17-8-15-14-7(18-8)16(2)3/h6,13H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 300.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-(2,2,2-trifluoroethylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).