N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine

C10H16F3N5S — CID 80606829

IUPACN-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C10H16F3N5S/c1-14-9-16-15-8(19-9)6-17-2-4-18(5-3-17)7-10(11,12)13/h2-7H2,1H3,(H,14,16)
InChIKeyNWFJXKZCSUFRIR-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.26
Rot. Bonds4

About N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine

N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606829) has the molecular formula C10H16F3N5S and a molecular weight of 295.33 g/mol. Its IUPAC name is N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606829
Molecular FormulaC10H16F3N5S
Molecular Weight295.33 g/mol
Exact Mass295.11
IUPAC NameN-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C10H16F3N5S/c1-14-9-16-15-8(19-9)6-17-2-4-18(5-3-17)7-10(11,12)13/h2-7H2,1H3,(H,14,16)
InChIKeyNWFJXKZCSUFRIR-UHFFFAOYSA-N
XLogP1.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 80606829) is N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(CN2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NWFJXKZCSUFRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5S/c1-14-9-16-15-8(19-9)6-17-2-4-18(5-3-17)7-10(11,12)13/h2-7H2,1H3,(H,14,16).
What are the key properties of N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 295.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).