4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one

C13H12ClN3OS — CID 168509594

IUPAC4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1nc(-c2cccnc2)cs1
InChIInChI=1S/C13H12ClN3OS/c14-5-9-4-12(18)17(7-9)13-16-11(8-19-13)10-2-1-3-15-6-10/h1-3,6,8-9H,4-5,7H2
InChIKeyRYQYMLNMUYSUHK-UHFFFAOYSA-N
MW293.78 g/mol
LogP2.80
Rot. Bonds3

About 4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one

4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 168509594) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID168509594
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1nc(-c2cccnc2)cs1
InChIInChI=1S/C13H12ClN3OS/c14-5-9-4-12(18)17(7-9)13-16-11(8-19-13)10-2-1-3-15-6-10/h1-3,6,8-9H,4-5,7H2
InChIKeyRYQYMLNMUYSUHK-UHFFFAOYSA-N
XLogP2.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683272
4-(chloromethyl)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168509574
4-chloro-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168689921
4-(aminomethyl)-1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168661338
4-(bromomethyl)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168506253
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672258
4-(bromomethyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168504450
S-[[5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168668940
4-(chloromethyl)-1-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 168509727
4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168672273
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(azidomethyl)pyrrolidin-2-one
CID 168658502
1-[4-(furan-2-yl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664210

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one (CID 168509594) is 4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1nc(-c2cccnc2)cs1.
What is the InChIKey of 4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is RYQYMLNMUYSUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c14-5-9-4-12(18)17(7-9)13-16-11(8-19-13)10-2-1-3-15-6-10/h1-3,6,8-9H,4-5,7H2.
What are the key properties of 4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one?
4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 293.78 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168509594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).