[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C20H27N3O3S2 — CID 55337683

IUPAC[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)s1
InChIInChI=1S/C20H27N3O3S2/c1-14-18(27-15(2)21-14)19(24)22-10-12-23(13-11-22)28(25,26)17-8-6-16(7-9-17)20(3,4)5/h6-9H,10-13H2,1-5H3
InChIKeyKJCGOJZYHOZBQQ-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.20
Rot. Bonds3

About [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 55337683) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID55337683
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC Name[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)s1
InChIInChI=1S/C20H27N3O3S2/c1-14-18(27-15(2)21-14)19(24)22-10-12-23(13-11-22)28(25,26)17-8-6-16(7-9-17)20(3,4)5/h6-9H,10-13H2,1-5H3
InChIKeyKJCGOJZYHOZBQQ-UHFFFAOYSA-N
XLogP3.20
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 55339656
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 46453588
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 27669252
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 42571680
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24628478
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,2,2-trifluoroethanone
CID 108567599
[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22628235
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110368132
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 145027348
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 24765755
(5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26750377
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 17491465

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 55337683) is [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)s1.
What is the InChIKey of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is KJCGOJZYHOZBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-14-18(27-15(2)21-14)19(24)22-10-12-23(13-11-22)28(25,26)17-8-6-16(7-9-17)20(3,4)5/h6-9H,10-13H2,1-5H3.
What are the key properties of [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 421.59 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 55337683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).