5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride

C14H17Cl2N3O2S2 — CID 120765306

IUPAC5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
SMILESCc1ncc(S(=O)(=O)N2CCNCC2c2ccccc2Cl)s1.Cl
InChIInChI=1S/C14H16ClN3O2S2.ClH/c1-10-17-9-14(21-10)22(19,20)18-7-6-16-8-13(18)11-4-2-3-5-12(11)15;/h2-5,9,13,16H,6-8H2,1H3;1H
InChIKeyNNTPRTALUAXKNS-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.86
Rot. Bonds3

About 5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride

5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride (PubChem CID 120765306) has the molecular formula C14H17Cl2N3O2S2 and a molecular weight of 394.35 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
PubChem CID120765306
Molecular FormulaC14H17Cl2N3O2S2
Molecular Weight394.35 g/mol
Exact Mass393.01
IUPAC Name5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
SMILESCc1ncc(S(=O)(=O)N2CCNCC2c2ccccc2Cl)s1.Cl
InChIInChI=1S/C14H16ClN3O2S2.ClH/c1-10-17-9-14(21-10)22(19,20)18-7-6-16-8-13(18)11-4-2-3-5-12(11)15;/h2-5,9,13,16H,6-8H2,1H3;1H
InChIKeyNNTPRTALUAXKNS-UHFFFAOYSA-N
XLogP2.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120763453
2-(2-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765092
2-(2-chlorophenyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120765172
3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylpyridin-2-amine;hydrochloride
CID 120765276
5-chloro-3-[2-(2-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120765068
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325
2-(2-chlorophenyl)-1-[(5-chloro-3-pyridinyl)sulfonyl]piperazine
CID 120765119
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile
CID 103415236
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
2-(2-chlorophenyl)-1-(cyclopropylmethylsulfonyl)piperazine;hydrochloride
CID 120765152
2-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-azabicyclo[2.2.1]heptane;hydrochloride
CID 120765026

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride?
The IUPAC name of 5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride (CID 120765306) is 5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride is Cc1ncc(S(=O)(=O)N2CCNCC2c2ccccc2Cl)s1.Cl.
What is the InChIKey of 5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride?
The InChIKey is NNTPRTALUAXKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S2.ClH/c1-10-17-9-14(21-10)22(19,20)18-7-6-16-8-13(18)11-4-2-3-5-12(11)15;/h2-5,9,13,16H,6-8H2,1H3;1H.
What are the key properties of 5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride?
5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride has a molecular weight of 394.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120765306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).