N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide

C15H17ClN2O2S — CID 43248142

IUPACN-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(-c2nc(CCl)cs2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-7-20-9-14(19)17-12-5-3-11(4-6-12)15-18-13(8-16)10-21-15/h3-6,10H,2,7-9H2,1H3,(H,17,19)
InChIKeyZUFMJSLFDGOHGC-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.91
Rot. Bonds7

About N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide

N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide (PubChem CID 43248142) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide
PubChem CID43248142
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(-c2nc(CCl)cs2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-7-20-9-14(19)17-12-5-3-11(4-6-12)15-18-13(8-16)10-21-15/h3-6,10H,2,7-9H2,1H3,(H,17,19)
InChIKeyZUFMJSLFDGOHGC-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-3-ethoxypropanamide
CID 43320222
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 108745935
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110342181
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145
2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748184
N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide
CID 107938515
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 86898181
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide
CID 18275779
4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide
CID 83020344
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide?
The IUPAC name of N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide (CID 43248142) is N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide.
What is the SMILES notation for N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide?
The canonical SMILES for N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide is CCCOCC(=O)Nc1ccc(-c2nc(CCl)cs2)cc1.
What is the InChIKey of N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide?
The InChIKey is ZUFMJSLFDGOHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-7-20-9-14(19)17-12-5-3-11(4-6-12)15-18-13(8-16)10-21-15/h3-6,10H,2,7-9H2,1H3,(H,17,19).
What are the key properties of N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide?
N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide has a molecular weight of 324.83 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide is sourced from PubChem (CID 43248142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).