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

C10H16F3N5S — CID 62968272

IUPACN-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
SMILESCNc1snnc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N5S/c1-14-9-8(15-16-19-9)6-17-2-4-18(5-3-17)7-10(11,12)13/h14H,2-7H2,1H3
InChIKeyLBRKNRYDIKIMHI-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.26
Rot. Bonds4

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

N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine (PubChem CID 62968272) has the molecular formula C10H16F3N5S and a molecular weight of 295.33 g/mol. Its IUPAC name is N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
PubChem CID62968272
Molecular FormulaC10H16F3N5S
Molecular Weight295.33 g/mol
Exact Mass295.11
IUPAC NameN-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
SMILESCNc1snnc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N5S/c1-14-9-8(15-16-19-9)6-17-2-4-18(5-3-17)7-10(11,12)13/h14H,2-7H2,1H3
InChIKeyLBRKNRYDIKIMHI-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-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine (CID 62968272) is N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine is CNc1snnc1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The InChIKey is LBRKNRYDIKIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5S/c1-14-9-8(15-16-19-9)6-17-2-4-18(5-3-17)7-10(11,12)13/h14H,2-7H2,1H3.
What are the key properties of N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
N-methyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-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-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62968272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).