[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate

C19H25N3O4S2 — CID 174558419

IUPAC[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCNCC1
InChIInChI=1S/C19H25N3O4S2/c1-18(2,3)16(23)26-19(8-10-20-11-9-19)14-4-6-15(7-5-14)28(24,25)22-17-21-12-13-27-17/h4-7,12-13,20H,8-11H2,1-3H3,(H,21,22)
InChIKeyCHKGFWNTHXHKFK-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.11
Rot. Bonds5

About [4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate

[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate (PubChem CID 174558419) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is [4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
PubChem CID174558419
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCNCC1
InChIInChI=1S/C19H25N3O4S2/c1-18(2,3)16(23)26-19(8-10-20-11-9-19)14-4-6-15(7-5-14)28(24,25)22-17-21-12-13-27-17/h4-7,12-13,20H,8-11H2,1-3H3,(H,21,22)
InChIKeyCHKGFWNTHXHKFK-UHFFFAOYSA-N
XLogP3.11
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87488147
2-(1-adamantyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25035445
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide
CID 70789381
[3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 174662539
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
methyl 1-(2-hydroxyethyl)-5-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]-2H-pyrrole-3-carboxylate
CID 168561566
2-(2-tert-butylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53266512

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate (CID 174558419) is [4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCNCC1.
What is the InChIKey of [4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The InChIKey is CHKGFWNTHXHKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-18(2,3)16(23)26-19(8-10-20-11-9-19)14-4-6-15(7-5-14)28(24,25)22-17-21-12-13-27-17/h4-7,12-13,20H,8-11H2,1-3H3,(H,21,22).
What are the key properties of [4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate?
[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate has a molecular weight of 423.56 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174558419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).