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

C12H20F3N5S — CID 80611822

IUPACN-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C12H20F3N5S/c1-2-3-16-11-18-17-10(21-11)8-19-4-6-20(7-5-19)9-12(13,14)15/h2-9H2,1H3,(H,16,18)
InChIKeyLHQQUHPKNMGLPJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.04
Rot. Bonds6

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

N-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80611822) has the molecular formula C12H20F3N5S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80611822
Molecular FormulaC12H20F3N5S
Molecular Weight323.39 g/mol
Exact Mass323.14
IUPAC NameN-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C12H20F3N5S/c1-2-3-16-11-18-17-10(21-11)8-19-4-6-20(7-5-19)9-12(13,14)15/h2-9H2,1H3,(H,16,18)
InChIKeyLHQQUHPKNMGLPJ-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

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

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Related Compounds

1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-YL]piperazine
CID 2146069
2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 86800409
2-Piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 2146068
1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperazine
CID 11171390
2-(2-Fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
CID 91185687
N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449859
N-[(2S,3R)-1-tert-butyl-2-methylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117630311
2-Piperazin-1-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 163606558
2-(4-Methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 3433177
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 65209670
2-(Difluoromethyl)-5-[4-(3-methylbutyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 71968126
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine hydrochloride
CID 75481478

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 80611822) is N-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of N-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LHQQUHPKNMGLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5S/c1-2-3-16-11-18-17-10(21-11)8-19-4-6-20(7-5-19)9-12(13,14)15/h2-9H2,1H3,(H,16,18).
What are the key properties of N-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-propyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-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-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80611822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).