2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride

C13H14Cl2N2O2S — CID 12006227

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccccc1NC(=O)Cc1nc(CCl)cs1.Cl
InChIInChI=1S/C13H13ClN2O2S.ClH/c1-18-11-5-3-2-4-10(11)16-12(17)6-13-15-9(7-14)8-19-13;/h2-5,8H,6-7H2,1H3,(H,16,17);1H
InChIKeyZRRUZLYQDIRRSJ-UHFFFAOYSA-N
MW333.24 g/mol
LogP3.49
Rot. Bonds5

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride (PubChem CID 12006227) has the molecular formula C13H14Cl2N2O2S and a molecular weight of 333.24 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
PubChem CID12006227
Molecular FormulaC13H14Cl2N2O2S
Molecular Weight333.24 g/mol
Exact Mass332.02
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccccc1NC(=O)Cc1nc(CCl)cs1.Cl
InChIInChI=1S/C13H13ClN2O2S.ClH/c1-18-11-5-3-2-4-10(11)16-12(17)6-13-15-9(7-14)8-19-13;/h2-5,8H,6-7H2,1H3,(H,16,17);1H
InChIKeyZRRUZLYQDIRRSJ-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
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 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride (CID 12006227) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride is COc1ccccc1NC(=O)Cc1nc(CCl)cs1.Cl.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride?
The InChIKey is ZRRUZLYQDIRRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S.ClH/c1-18-11-5-3-2-4-10(11)16-12(17)6-13-15-9(7-14)8-19-13;/h2-5,8H,6-7H2,1H3,(H,16,17);1H.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride has a molecular weight of 333.24 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 12006227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).