[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C15H16N2O2S — CID 110250248

IUPAC[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cscn3)C2)cc1
InChIInChI=1S/C15H16N2O2S/c1-11-2-4-12(5-3-11)15(19)6-7-17(9-15)14(18)13-8-20-10-16-13/h2-5,8,10,19H,6-7,9H2,1H3
InChIKeyNOKWXHIBTOAMLM-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.19
Rot. Bonds2

About [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110250248) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110250248
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cscn3)C2)cc1
InChIInChI=1S/C15H16N2O2S/c1-11-2-4-12(5-3-11)15(19)6-7-17(9-15)14(18)13-8-20-10-16-13/h2-5,8,10,19H,6-7,9H2,1H3
InChIKeyNOKWXHIBTOAMLM-UHFFFAOYSA-N
XLogP2.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 163559510
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[1-(4-hydroxyphenyl)cyclopropyl]methanone
CID 166280981
(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 102737670
[(3S)-3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 92626111
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56898774
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944
(3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 167964755
3-methyl-8-(1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 95811403
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46974804
4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
CID 107161029
4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 63125222
[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124989633

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 110250248) is [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1ccc(C2(O)CCN(C(=O)c3cscn3)C2)cc1.
What is the InChIKey of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is NOKWXHIBTOAMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-2-4-12(5-3-11)15(19)6-7-17(9-15)14(18)13-8-20-10-16-13/h2-5,8,10,19H,6-7,9H2,1H3.
What are the key properties of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 288.37 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110250248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).