[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

C19H25N3O4S2 — CID 55862404

IUPAC[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)c3sc(C(C)C)nc3C)CC2)c1
InChIInChI=1S/C19H25N3O4S2/c1-12(2)18-20-14(4)17(27-18)19(24)21-7-9-22(10-8-21)28(25,26)16-11-13(3)5-6-15(16)23/h5-6,11-12,23H,7-10H2,1-4H3
InChIKeyFYIKNICAFDMKFJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.74
Rot. Bonds4

About [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 55862404) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID55862404
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)c3sc(C(C)C)nc3C)CC2)c1
InChIInChI=1S/C19H25N3O4S2/c1-12(2)18-20-14(4)17(27-18)19(24)21-7-9-22(10-8-21)28(25,26)16-11-13(3)5-6-15(16)23/h5-6,11-12,23H,7-10H2,1-4H3
InChIKeyFYIKNICAFDMKFJ-UHFFFAOYSA-N
XLogP2.74
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 46453588
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 55339656
1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 56812669
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 55813581
[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55862141
N-[1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55863794
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55863290
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55862647
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 55337683
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55862399
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684553
[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 55862262

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 55862404) is [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)c3sc(C(C)C)nc3C)CC2)c1.
What is the InChIKey of [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is FYIKNICAFDMKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-12(2)18-20-14(4)17(27-18)19(24)21-7-9-22(10-8-21)28(25,26)16-11-13(3)5-6-15(16)23/h5-6,11-12,23H,7-10H2,1-4H3.
What are the key properties of [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 423.56 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 55862404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).