2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide

C14H15ClN2OS — CID 2487344

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2nc(CCl)cs2)c1
InChIInChI=1S/C14H15ClN2OS/c1-9-3-4-10(2)12(5-9)17-13(18)6-14-16-11(7-15)8-19-14/h3-5,8H,6-7H2,1-2H3,(H,17,18)
InChIKeyOMSUYSUJHQGZCE-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.68
Rot. Bonds4

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 2487344) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID2487344
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2nc(CCl)cs2)c1
InChIInChI=1S/C14H15ClN2OS/c1-9-3-4-10(2)12(5-9)17-13(18)6-14-16-11(7-15)8-19-14/h3-5,8H,6-7H2,1-2H3,(H,17,18)
InChIKeyOMSUYSUJHQGZCE-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 16277301
CID 16277301
CID 16302173
CID 16302173
CID 24685980
CID 24685980
CID 695122
CID 695122
CID 737888
CID 737888
CID 737891
CID 737891
CID 850546
CID 850546
CID 850547
CID 850547
CID 2447523
CID 2447523
CID 8894361
CID 8894361
CID 15945249
CID 15945249
CID 16014491
CID 16014491

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide (CID 2487344) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cc2nc(CCl)cs2)c1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is OMSUYSUJHQGZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-3-4-10(2)12(5-9)17-13(18)6-14-16-11(7-15)8-19-14/h3-5,8H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 294.81 g/mol, XLogP of 3.68, 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-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 2487344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).