4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride

C14H17ClFN3S — CID 3056224

IUPAC4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride
SMILESCl.Fc1ccc(Cc2csc(N3CCNCC3)n2)cc1
InChIInChI=1S/C14H16FN3S.ClH/c15-12-3-1-11(2-4-12)9-13-10-19-14(17-13)18-7-5-16-6-8-18;/h1-4,10,16H,5-9H2;1H
InChIKeyWVMDVFGLSJKDSG-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.70
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride

4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride (PubChem CID 3056224) has the molecular formula C14H17ClFN3S and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride
PubChem CID3056224
Molecular FormulaC14H17ClFN3S
Molecular Weight313.83 g/mol
Exact Mass313.08
IUPAC Name4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride
SMILESCl.Fc1ccc(Cc2csc(N3CCNCC3)n2)cc1
InChIInChI=1S/C14H16FN3S.ClH/c15-12-3-1-11(2-4-12)9-13-10-19-14(17-13)18-7-5-16-6-8-18;/h1-4,10,16H,5-9H2;1H
InChIKeyWVMDVFGLSJKDSG-UHFFFAOYSA-N
XLogP2.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride (CID 3056224) is 4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride is Cl.Fc1ccc(Cc2csc(N3CCNCC3)n2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride?
The InChIKey is WVMDVFGLSJKDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S.ClH/c15-12-3-1-11(2-4-12)9-13-10-19-14(17-13)18-7-5-16-6-8-18;/h1-4,10,16H,5-9H2;1H.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride?
4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 3056224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).