[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

C21H23N3O3S3 — CID 24680682

IUPAC[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESCCc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)s4)CC3)cs2)cc1
InChIInChI=1S/C21H23N3O3S3/c1-3-16-5-7-17(8-6-16)20-22-18(14-28-20)21(25)23-10-12-24(13-11-23)30(26,27)19-9-4-15(2)29-19/h4-9,14H,3,10-13H2,1-2H3
InChIKeyODGZEJUEQITZCO-UHFFFAOYSA-N
MW461.63 g/mol
LogP3.89
Rot. Bonds5

About [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 24680682) has the molecular formula C21H23N3O3S3 and a molecular weight of 461.63 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID24680682
Molecular FormulaC21H23N3O3S3
Molecular Weight461.63 g/mol
Exact Mass461.09
IUPAC Name[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESCCc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)s4)CC3)cs2)cc1
InChIInChI=1S/C21H23N3O3S3/c1-3-16-5-7-17(8-6-16)20-22-18(14-28-20)21(25)23-10-12-24(13-11-23)30(26,27)19-9-4-15(2)29-19/h4-9,14H,3,10-13H2,1-2H3
InChIKeyODGZEJUEQITZCO-UHFFFAOYSA-N
XLogP3.89
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55976613
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 26766188
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24680878
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 60598924
[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110645794
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110646082
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 110805246

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone (CID 24680682) is [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone is CCc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)s4)CC3)cs2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is ODGZEJUEQITZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S3/c1-3-16-5-7-17(8-6-16)20-22-18(14-28-20)21(25)23-10-12-24(13-11-23)30(26,27)19-9-4-15(2)29-19/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 461.63 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 24680682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).