N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C10H16F3N5S — CID 114449894

IUPACN-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(CCN1CCNCC1)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H16F3N5S/c1-17(6-7-18-4-2-14-3-5-18)9-16-15-8(19-9)10(11,12)13/h14H,2-7H2,1H3
InChIKeyMGYOKKBQIBIRRC-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.90
Rot. Bonds4

About N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449894) has the molecular formula C10H16F3N5S and a molecular weight of 295.33 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449894
Molecular FormulaC10H16F3N5S
Molecular Weight295.33 g/mol
Exact Mass295.11
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(CCN1CCNCC1)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H16F3N5S/c1-17(6-7-18-4-2-14-3-5-18)9-16-15-8(19-9)10(11,12)13/h14H,2-7H2,1H3
InChIKeyMGYOKKBQIBIRRC-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449894) is N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN(CCN1CCNCC1)c1nnc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MGYOKKBQIBIRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5S/c1-17(6-7-18-4-2-14-3-5-18)9-16-15-8(19-9)10(11,12)13/h14H,2-7H2,1H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 295.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).