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

C12H20F3N5S — CID 62968274

IUPACN-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N5S/c1-2-3-16-11-10(17-18-21-11)8-19-4-6-20(7-5-19)9-12(13,14)15/h16H,2-9H2,1H3
InChIKeyZMWJDJUTRAPKCX-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.04
Rot. Bonds6

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

N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine (PubChem CID 62968274) has the molecular formula C12H20F3N5S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
PubChem CID62968274
Molecular FormulaC12H20F3N5S
Molecular Weight323.39 g/mol
Exact Mass323.14
IUPAC NameN-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N5S/c1-2-3-16-11-10(17-18-21-11)8-19-4-6-20(7-5-19)9-12(13,14)15/h16H,2-9H2,1H3
InChIKeyZMWJDJUTRAPKCX-UHFFFAOYSA-N
XLogP2.04
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The IUPAC name of N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine (CID 62968274) is N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The canonical SMILES for N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine is CCCNc1snnc1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The InChIKey is ZMWJDJUTRAPKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5S/c1-2-3-16-11-10(17-18-21-11)8-19-4-6-20(7-5-19)9-12(13,14)15/h16H,2-9H2,1H3.
What are the key properties of N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine has a molecular weight of 323.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62968274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).