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

C10H9ClN2OS — CID 43138432

IUPAC1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1nc(CCl)cs1
InChIInChI=1S/C10H9ClN2OS/c11-5-8-7-15-9(12-8)6-13-4-2-1-3-10(13)14/h1-4,7H,5-6H2
InChIKeyYGJQODJIAHMJKR-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.09
Rot. Bonds3

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

1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one (PubChem CID 43138432) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one
PubChem CID43138432
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1nc(CCl)cs1
InChIInChI=1S/C10H9ClN2OS/c11-5-8-7-15-9(12-8)6-13-4-2-1-3-10(13)14/h1-4,7H,5-6H2
InChIKeyYGJQODJIAHMJKR-UHFFFAOYSA-N
XLogP2.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.09
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-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one (CID 43138432) is 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one is O=c1ccccn1Cc1nc(CCl)cs1.
What is the InChIKey of 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one?
The InChIKey is YGJQODJIAHMJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-5-8-7-15-9(12-8)6-13-4-2-1-3-10(13)14/h1-4,7H,5-6H2.
What are the key properties of 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one?
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one has a molecular weight of 240.72 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 43138432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).