2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride

C15H19ClFN3O2S2 — CID 120764447

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride
SMILESCc1nc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)sc1C.Cl
InChIInChI=1S/C15H18FN3O2S2.ClH/c1-10-11(2)22-15(18-10)23(20,21)19-7-6-17-9-14(19)12-4-3-5-13(16)8-12;/h3-5,8,14,17H,6-7,9H2,1-2H3;1H
InChIKeyPMXWNONMEVSLNY-UHFFFAOYSA-N
MW391.92 g/mol
LogP2.66
Rot. Bonds3

About 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride

2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride (PubChem CID 120764447) has the molecular formula C15H19ClFN3O2S2 and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride
PubChem CID120764447
Molecular FormulaC15H19ClFN3O2S2
Molecular Weight391.92 g/mol
Exact Mass391.06
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride
SMILESCc1nc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)sc1C.Cl
InChIInChI=1S/C15H18FN3O2S2.ClH/c1-10-11(2)22-15(18-10)23(20,21)19-7-6-17-9-14(19)12-4-3-5-13(16)8-12;/h3-5,8,14,17H,6-7,9H2,1-2H3;1H
InChIKeyPMXWNONMEVSLNY-UHFFFAOYSA-N
XLogP2.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645
2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120764443
5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride
CID 120764952
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
2-(3-fluorophenyl)-1-(2-methyl-4-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764998
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
methyl 3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzoate;hydrochloride
CID 120764505
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride
CID 120876763
2-(3-fluorophenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 120764989
methyl 4-fluoro-2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120764590
1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
CID 120764648

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride (CID 120764447) is 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride is Cc1nc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)sc1C.Cl.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride?
The InChIKey is PMXWNONMEVSLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S2.ClH/c1-10-11(2)22-15(18-10)23(20,21)19-7-6-17-9-14(19)12-4-3-5-13(16)8-12;/h3-5,8,14,17H,6-7,9H2,1-2H3;1H.
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride?
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120764447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).