[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C15H16N2OS — CID 55142862

IUPAC[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1cscn1
InChIInChI=1S/C15H16N2OS/c1-11-5-2-3-6-12(11)14-7-4-8-17(14)15(18)13-9-19-10-16-13/h2-3,5-6,9-10,14H,4,7-8H2,1H3
InChIKeyLAEXGZHZHWFJJE-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.43
Rot. Bonds2

About [2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 55142862) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is [2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID55142862
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1cscn1
InChIInChI=1S/C15H16N2OS/c1-11-5-2-3-6-12(11)14-7-4-8-17(14)15(18)13-9-19-10-16-13/h2-3,5-6,9-10,14H,4,7-8H2,1H3
InChIKeyLAEXGZHZHWFJJE-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
1,3-thiazol-4-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735848
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
(4,5-dibromothiophen-2-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 80534413
(2,4-dihydroxyphenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 15942101
(2,4-dihydroxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 25058141
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51855884
[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125024045
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
1-[2-[(2S)-2-(2-methylphenyl)pyrrolidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 95122769

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 55142862) is [2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1ccccc1C1CCCN1C(=O)c1cscn1.
What is the InChIKey of [2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is LAEXGZHZHWFJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-5-2-3-6-12(11)14-7-4-8-17(14)15(18)13-9-19-10-16-13/h2-3,5-6,9-10,14H,4,7-8H2,1H3.
What are the key properties of [2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 272.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 55142862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).