5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine

C14H18FN5S — CID 82058182

IUPAC5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCN2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C14H18FN5S/c15-11-1-3-12(4-2-11)20-9-7-19(8-10-20)6-5-13-17-18-14(16)21-13/h1-4H,5-10H2,(H2,16,18)
InChIKeyGRCRDFFYMCLODW-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.62
Rot. Bonds4

About 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine

5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 82058182) has the molecular formula C14H18FN5S and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID82058182
Molecular FormulaC14H18FN5S
Molecular Weight307.40 g/mol
Exact Mass307.13
IUPAC Name5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCN2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C14H18FN5S/c15-11-1-3-12(4-2-11)20-9-7-19(8-10-20)6-5-13-17-18-14(16)21-13/h1-4H,5-10H2,(H2,16,18)
InChIKeyGRCRDFFYMCLODW-UHFFFAOYSA-N
XLogP1.62
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanol
CID 82058201
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride
CID 19932960
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline
CID 13217691
[5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80601986
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982248
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318148
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 15575683
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
2-[(4-fluorophenyl)methyl]-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133466280
2,3-dihydroxybutanedioic acid;5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982247
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (CID 82058182) is 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCN2CCN(c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GRCRDFFYMCLODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5S/c15-11-1-3-12(4-2-11)20-9-7-19(8-10-20)6-5-13-17-18-14(16)21-13/h1-4H,5-10H2,(H2,16,18).
What are the key properties of 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 307.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82058182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).