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

C8H9ClN2OS — CID 79764345

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C8H9ClN2OS/c9-8-10-4-6(13-8)5-11-3-1-2-7(11)12/h4H,1-3,5H2
InChIKeyVAWCLZONHMJAED-UHFFFAOYSA-N
MW216.69 g/mol
LogP1.92
Rot. Bonds2

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 79764345) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID79764345
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C8H9ClN2OS/c9-8-10-4-6(13-8)5-11-3-1-2-7(11)12/h4H,1-3,5H2
InChIKeyVAWCLZONHMJAED-UHFFFAOYSA-N
XLogP1.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one (CID 79764345) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is VAWCLZONHMJAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c9-8-10-4-6(13-8)5-11-3-1-2-7(11)12/h4H,1-3,5H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 216.69 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 79764345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).