4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one

C10H13ClN2OS — CID 168688221

IUPAC4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESCc1nc(C)c(CN2CC(Cl)CC2=O)s1
InChIInChI=1S/C10H13ClN2OS/c1-6-9(15-7(2)12-6)5-13-4-8(11)3-10(13)14/h8H,3-5H2,1-2H3
InChIKeyIYMREUPQHXAFKP-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.10
Rot. Bonds2

About 4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one

4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 168688221) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID168688221
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESCc1nc(C)c(CN2CC(Cl)CC2=O)s1
InChIInChI=1S/C10H13ClN2OS/c1-6-9(15-7(2)12-6)5-13-4-8(11)3-10(13)14/h8H,3-5H2,1-2H3
InChIKeyIYMREUPQHXAFKP-UHFFFAOYSA-N
XLogP2.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691126
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708979
4-chloro-1-[(2,6-dimethylphenyl)methyl]pyrrolidin-2-one
CID 168688320
1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 71978470
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 168688256
5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 131939365
4-chloro-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-one
CID 168688847
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 125159195
N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide
CID 154582450
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155503880
4-chloro-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 168687883

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one (CID 168688221) is 4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one is Cc1nc(C)c(CN2CC(Cl)CC2=O)s1.
What is the InChIKey of 4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is IYMREUPQHXAFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-6-9(15-7(2)12-6)5-13-4-8(11)3-10(13)14/h8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 244.75 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168688221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).