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

C14H15ClN2OS — CID 4583185

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(CCl)cs1)c1cccc(C)c1C
InChIInChI=1S/C14H15ClN2OS/c1-9-5-4-6-13(10(9)2)17(11(3)18)14-16-12(7-15)8-19-14/h4-6,8H,7H2,1-3H3
InChIKeyMQUGSDBGBZGGNI-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.18
Rot. Bonds3

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

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 4583185) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID4583185
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(CCl)cs1)c1cccc(C)c1C
InChIInChI=1S/C14H15ClN2OS/c1-9-5-4-6-13(10(9)2)17(11(3)18)14-16-12(7-15)8-19-14/h4-6,8H,7H2,1-3H3
InChIKeyMQUGSDBGBZGGNI-UHFFFAOYSA-N
XLogP4.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 3395929
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 3864051
N-[4-(Chloromethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 306088
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 3865568
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 2392260
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2512674
N-(2-ethylphenyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CID 3573791
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 2121621
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 736915
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2081083
N-(3,4-dimethylphenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 2090926
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 2121619

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide (CID 4583185) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide is CC(=O)N(c1nc(CCl)cs1)c1cccc(C)c1C.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is MQUGSDBGBZGGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-5-4-6-13(10(9)2)17(11(3)18)14-16-12(7-15)8-19-14/h4-6,8H,7H2,1-3H3.
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 294.81 g/mol, XLogP of 4.18, 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-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 4583185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).