4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole

C15H18N2O4S3 — CID 6623318

IUPAC4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CCCC2)cc1
InChIInChI=1S/C15H18N2O4S3/c1-11-5-7-12(8-6-11)24(20,21)13-14(17-9-3-4-10-17)22-15(16-13)23(2,18)19/h5-8H,3-4,9-10H2,1-2H3
InChIKeyDFZUQIJERKPOAB-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.29
Rot. Bonds4

About 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole

4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 6623318) has the molecular formula C15H18N2O4S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole
PubChem CID6623318
Molecular FormulaC15H18N2O4S3
Molecular Weight386.52 g/mol
Exact Mass386.04
IUPAC Name4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CCCC2)cc1
InChIInChI=1S/C15H18N2O4S3/c1-11-5-7-12(8-6-11)24(20,21)13-14(17-9-3-4-10-17)22-15(16-13)23(2,18)19/h5-8H,3-4,9-10H2,1-2H3
InChIKeyDFZUQIJERKPOAB-UHFFFAOYSA-N
XLogP2.29
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazole
CID 41061361
5-(4-benzylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazole
CID 1299228
(2S,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine
CID 1295997
4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine
CID 20888694
2-[4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]piperazin-1-yl]ethanol
CID 20888842
5-(3,5-dimethylpiperidin-1-yl)-2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 20888746
(2R,6S)-4-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]-2,6-dimethylmorpholine
CID 26874254
(2R,6S)-2,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-2-propylsulfonyl-1,3-thiazol-5-yl]morpholine
CID 26874247
5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 2107753
5-chloro-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 45495724
4-(4-chlorophenyl)sulfonyl-N,N-diethyl-2-methylsulfonyl-1,3-thiazol-5-amine
CID 43845732
5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
CID 2107752

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole (CID 6623318) is 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole is Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CCCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is DFZUQIJERKPOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S3/c1-11-5-7-12(8-6-11)24(20,21)13-14(17-9-3-4-10-17)22-15(16-13)23(2,18)19/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole?
4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 386.52 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-2-methylsulfonyl-5-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 6623318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).