(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone

C18H22N2O2S — CID 86918269

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C18H22N2O2S/c1-4-22-15-9-7-14(8-10-15)16-6-5-11-20(16)18(21)17-12(2)19-13(3)23-17/h7-10,16H,4-6,11H2,1-3H3
InChIKeyKLWWTNNCZQNUMA-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.14
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 86918269) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID86918269
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C18H22N2O2S/c1-4-22-15-9-7-14(8-10-15)16-6-5-11-20(16)18(21)17-12(2)19-13(3)23-17/h7-10,16H,4-6,11H2,1-3H3
InChIKeyKLWWTNNCZQNUMA-UHFFFAOYSA-N
XLogP4.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2,5-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46974999
N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107927
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 41135388
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 47036034
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 112806434
1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355909
(2R)-1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370974
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone (CID 86918269) is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone is CCOc1ccc(C2CCCN2C(=O)c2sc(C)nc2C)cc1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is KLWWTNNCZQNUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-4-22-15-9-7-14(8-10-15)16-6-5-11-20(16)18(21)17-12(2)19-13(3)23-17/h7-10,16H,4-6,11H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86918269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).