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

C15H20ClN3O3S2 — CID 120763453

IUPAC5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1cnc(C)s1.Cl
InChIInChI=1S/C15H19N3O3S2.ClH/c1-11-17-10-15(22-11)23(19,20)18-8-7-16-9-13(18)12-5-3-4-6-14(12)21-2;/h3-6,10,13,16H,7-9H2,1-2H3;1H
InChIKeyFFJXNLBEVDSHTQ-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.22
Rot. Bonds4

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

5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride (PubChem CID 120763453) has the molecular formula C15H20ClN3O3S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
PubChem CID120763453
Molecular FormulaC15H20ClN3O3S2
Molecular Weight389.93 g/mol
Exact Mass389.06
IUPAC Name5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1cnc(C)s1.Cl
InChIInChI=1S/C15H19N3O3S2.ClH/c1-11-17-10-15(22-11)23(19,20)18-8-7-16-9-13(18)12-5-3-4-6-14(12)21-2;/h3-6,10,13,16H,7-9H2,1-2H3;1H
InChIKeyFFJXNLBEVDSHTQ-UHFFFAOYSA-N
XLogP2.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120765306
1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763016
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methoxyphenyl)piperazine
CID 120763175
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120763011
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 120763492
methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 120763445
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride?
The IUPAC name of 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride (CID 120763453) is 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride is COc1ccccc1C1CNCCN1S(=O)(=O)c1cnc(C)s1.Cl.
What is the InChIKey of 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride?
The InChIKey is FFJXNLBEVDSHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2.ClH/c1-11-17-10-15(22-11)23(19,20)18-8-7-16-9-13(18)12-5-3-4-6-14(12)21-2;/h3-6,10,13,16H,7-9H2,1-2H3;1H.
What are the key properties of 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride?
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120763453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).