1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one

C11H11ClN2OS — CID 60876048

IUPAC1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1nc(CCl)cs1
InChIInChI=1S/C11H11ClN2OS/c1-8-3-2-4-11(15)14(8)6-10-13-9(5-12)7-16-10/h2-4,7H,5-6H2,1H3
InChIKeyBGVLRYSKKYOWAA-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.40
Rot. Bonds3

About 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one

1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one (PubChem CID 60876048) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one
PubChem CID60876048
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1nc(CCl)cs1
InChIInChI=1S/C11H11ClN2OS/c1-8-3-2-4-11(15)14(8)6-10-13-9(5-12)7-16-10/h2-4,7H,5-6H2,1H3
InChIKeyBGVLRYSKKYOWAA-UHFFFAOYSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.40
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]-6-methylpyridin-2-one?
The IUPAC name of 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one (CID 60876048) is 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1Cc1nc(CCl)cs1.
What is the InChIKey of 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one?
The InChIKey is BGVLRYSKKYOWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-8-3-2-4-11(15)14(8)6-10-13-9(5-12)7-16-10/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one?
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-6-methylpyridin-2-one has a molecular weight of 254.74 g/mol, XLogP of 2.40, 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]-6-methylpyridin-2-one is sourced from PubChem (CID 60876048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).