2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole

C19H20ClN3O2S3 — CID 50839209

IUPAC2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2csc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)sc1C
InChIInChI=1S/C19H20ClN3O2S3/c1-13-14(2)27-19(21-13)15-10-18(26-12-15)28(24,25)23-8-6-22(7-9-23)17-5-3-4-16(20)11-17/h3-5,10-12H,6-9H2,1-2H3
InChIKeySMQOYXKTTFOKBN-UHFFFAOYSA-N
MW454.04 g/mol
LogP4.65
Rot. Bonds4

About 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole

2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole (PubChem CID 50839209) has the molecular formula C19H20ClN3O2S3 and a molecular weight of 454.04 g/mol. Its IUPAC name is 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole
PubChem CID50839209
Molecular FormulaC19H20ClN3O2S3
Molecular Weight454.04 g/mol
Exact Mass453.04
IUPAC Name2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-c2csc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)sc1C
InChIInChI=1S/C19H20ClN3O2S3/c1-13-14(2)27-19(21-13)15-10-18(26-12-15)28(24,25)23-8-6-22(7-9-23)17-5-3-4-16(20)11-17/h3-5,10-12H,6-9H2,1-2H3
InChIKeySMQOYXKTTFOKBN-UHFFFAOYSA-N
XLogP4.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.04
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole with MolForge

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Related Compounds

1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
1-(3-chlorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
CID 20947441
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 45308206
1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine
CID 53130925
2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole
CID 53127291
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
CID 50842835
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24680704
2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-4,5-dimethyl-1,3-thiazole
CID 50835019
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole (CID 50839209) is 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole is Cc1nc(-c2csc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2)sc1C.
What is the InChIKey of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is SMQOYXKTTFOKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S3/c1-13-14(2)27-19(21-13)15-10-18(26-12-15)28(24,25)23-8-6-22(7-9-23)17-5-3-4-16(20)11-17/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole?
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 454.04 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 50839209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).