5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole

C17H22N2O4S2 — CID 95788624

IUPAC5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
SMILESCOc1ccc([C@H]2CCCN2S(=O)(=O)c2sc(C)nc2C)c(OC)c1
InChIInChI=1S/C17H22N2O4S2/c1-11-17(24-12(2)18-11)25(20,21)19-9-5-6-15(19)14-8-7-13(22-3)10-16(14)23-4/h7-8,10,15H,5-6,9H2,1-4H3/t15-/m1/s1
InChIKeyABBVTCDDZKCTHF-OAHLLOKOSA-N
MW382.51 g/mol
LogP3.30
Rot. Bonds5

About 5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole

5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole (PubChem CID 95788624) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
PubChem CID95788624
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
SMILESCOc1ccc([C@H]2CCCN2S(=O)(=O)c2sc(C)nc2C)c(OC)c1
InChIInChI=1S/C17H22N2O4S2/c1-11-17(24-12(2)18-11)25(20,21)19-9-5-6-15(19)14-8-7-13(22-3)10-16(14)23-4/h7-8,10,15H,5-6,9H2,1-4H3/t15-/m1/s1
InChIKeyABBVTCDDZKCTHF-OAHLLOKOSA-N
XLogP3.30
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 26531225
1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine
CID 24511085
4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 51335623
methyl 3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 55515450
2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 46633684
2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 124721396
4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-propan-2-ylpyrazole
CID 51598555
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 43018862
2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 46823397
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole (CID 95788624) is 5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole is COc1ccc([C@H]2CCCN2S(=O)(=O)c2sc(C)nc2C)c(OC)c1.
What is the InChIKey of 5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole?
The InChIKey is ABBVTCDDZKCTHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-11-17(24-12(2)18-11)25(20,21)19-9-5-6-15(19)14-8-7-13(22-3)10-16(14)23-4/h7-8,10,15H,5-6,9H2,1-4H3/t15-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole?
5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole has a molecular weight of 382.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 95788624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).