1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one

C11H11ClN2OS — CID 43138433

IUPAC1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCc1nc(CCl)cs1
InChIInChI=1S/C11H11ClN2OS/c12-7-9-8-16-10(13-9)4-6-14-5-2-1-3-11(14)15/h1-3,5,8H,4,6-7H2
InChIKeyGMXIVCUVCRGLTN-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one

1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one (PubChem CID 43138433) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one
PubChem CID43138433
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCc1nc(CCl)cs1
InChIInChI=1S/C11H11ClN2OS/c12-7-9-8-16-10(13-9)4-6-14-5-2-1-3-11(14)15/h1-3,5,8H,4,6-7H2
InChIKeyGMXIVCUVCRGLTN-UHFFFAOYSA-N
XLogP2.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one (CID 43138433) is 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one is O=c1ccccn1CCc1nc(CCl)cs1.
What is the InChIKey of 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one?
The InChIKey is GMXIVCUVCRGLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-7-9-8-16-10(13-9)4-6-14-5-2-1-3-11(14)15/h1-3,5,8H,4,6-7H2.
What are the key properties of 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one?
1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one has a molecular weight of 254.74 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 43138433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).