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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Related Compounds

CID 141371462
CID 141371462
CID 55046267
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CID 55046269
CID 55046269
CID 55046411
CID 55046411
CID 62181921
CID 62181921
CID 62182105
CID 62182105
CID 62182106
CID 62182106
CID 62182803
CID 62182803
CID 62182806
CID 62182806
CID 62182960
CID 62182960
CID 62182981
CID 62182981
CID 62182982
CID 62182982

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).