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

C13H14Cl2N2OS — CID 15945249

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)Cc2nc(CCl)cs2)cc1.Cl
InChIInChI=1S/C13H13ClN2OS.ClH/c1-9-2-4-10(5-3-9)15-12(17)6-13-16-11(7-14)8-18-13;/h2-5,8H,6-7H2,1H3,(H,15,17);1H
InChIKeyHYEMUAGRLCUIDL-UHFFFAOYSA-N
MW317.24 g/mol
LogP3.79
Rot. Bonds4

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 15945249) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID15945249
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)Cc2nc(CCl)cs2)cc1.Cl
InChIInChI=1S/C13H13ClN2OS.ClH/c1-9-2-4-10(5-3-9)15-12(17)6-13-16-11(7-14)8-18-13;/h2-5,8H,6-7H2,1H3,(H,15,17);1H
InChIKeyHYEMUAGRLCUIDL-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride (CID 15945249) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(NC(=O)Cc2nc(CCl)cs2)cc1.Cl.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is HYEMUAGRLCUIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS.ClH/c1-9-2-4-10(5-3-9)15-12(17)6-13-16-11(7-14)8-18-13;/h2-5,8H,6-7H2,1H3,(H,15,17);1H.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 317.24 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 15945249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).