N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

C15H17ClN2OS — CID 2512674

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(CCl)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H17ClN2OS/c1-9-5-10(2)14(11(3)6-9)18(12(4)19)15-17-13(7-16)8-20-15/h5-6,8H,7H2,1-4H3
InChIKeyOSIXKJGYHKWSEA-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.49
Rot. Bonds3

About N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 2512674) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID2512674
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(CCl)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H17ClN2OS/c1-9-5-10(2)14(11(3)6-9)18(12(4)19)15-17-13(7-16)8-20-15/h5-6,8H,7H2,1-4H3
InChIKeyOSIXKJGYHKWSEA-UHFFFAOYSA-N
XLogP4.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.49
H-Bond Donors ≤ 50
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 N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 2512674) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is CC(=O)N(c1nc(CCl)cs1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is OSIXKJGYHKWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-9-5-10(2)14(11(3)6-9)18(12(4)19)15-17-13(7-16)8-20-15/h5-6,8H,7H2,1-4H3.
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 308.83 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 2512674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).