2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone

C11H15ClN2O2S — CID 146102197

IUPAC2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone
SMILESCc1csc(COC2CCN(C(=O)CCl)C2)n1
InChIInChI=1S/C11H15ClN2O2S/c1-8-7-17-10(13-8)6-16-9-2-3-14(5-9)11(15)4-12/h7,9H,2-6H2,1H3
InChIKeyZAONEYQHIUCNLC-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.81
Rot. Bonds4

About 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone

2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone (PubChem CID 146102197) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone
PubChem CID146102197
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone
SMILESCc1csc(COC2CCN(C(=O)CCl)C2)n1
InChIInChI=1S/C11H15ClN2O2S/c1-8-7-17-10(13-8)6-16-9-2-3-14(5-9)11(15)4-12/h7,9H,2-6H2,1H3
InChIKeyZAONEYQHIUCNLC-UHFFFAOYSA-N
XLogP1.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
(2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone
CID 102561731
(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094253
[3-(2-methylpropoxy)pyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 136514652
4-ethoxy-N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide
CID 111960671
2-chloro-1-[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 110208245
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115633696
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 121094251
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
(3S)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone (CID 146102197) is 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone is Cc1csc(COC2CCN(C(=O)CCl)C2)n1.
What is the InChIKey of 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone?
The InChIKey is ZAONEYQHIUCNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-8-7-17-10(13-8)6-16-9-2-3-14(5-9)11(15)4-12/h7,9H,2-6H2,1H3.
What are the key properties of 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone?
2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone has a molecular weight of 274.77 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 146102197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).