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

C15H21ClFN5S — CID 19932960

IUPAC5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1nnc(CCCN2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C15H20FN5S.ClH/c16-12-4-1-2-5-13(12)21-10-8-20(9-11-21)7-3-6-14-18-19-15(17)22-14;/h1-2,4-5H,3,6-11H2,(H2,17,19);1H
InChIKeyCQVHECATJQGUGJ-UHFFFAOYSA-N
MW357.89 g/mol
LogP2.44
Rot. Bonds5

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

5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 19932960) has the molecular formula C15H21ClFN5S and a molecular weight of 357.89 g/mol. Its IUPAC name is 5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID19932960
Molecular FormulaC15H21ClFN5S
Molecular Weight357.89 g/mol
Exact Mass357.12
IUPAC Name5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1nnc(CCCN2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C15H20FN5S.ClH/c16-12-4-1-2-5-13(12)21-10-8-20(9-11-21)7-3-6-14-18-19-15(17)22-14;/h1-2,4-5H,3,6-11H2,(H2,17,19);1H
InChIKeyCQVHECATJQGUGJ-UHFFFAOYSA-N
XLogP2.44
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 60671383
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride
CID 3078068
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-ol
CID 64789983
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
CID 63030253
1-[3-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 68559610

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of 5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride (CID 19932960) is 5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride is Cl.Nc1nnc(CCCN2CCN(c3ccccc3F)CC2)s1.
What is the InChIKey of 5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is CQVHECATJQGUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5S.ClH/c16-12-4-1-2-5-13(12)21-10-8-20(9-11-21)7-3-6-14-18-19-15(17)22-14;/h1-2,4-5H,3,6-11H2,(H2,17,19);1H.
What are the key properties of 5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 19932960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).