2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide

C15H17ClN2O2S2 — CID 16900526

IUPAC2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1
InChIInChI=1S/C15H17ClN2O2S2/c1-20-6-5-17-14(19)8-13-10-22-15(18-13)21-9-11-3-2-4-12(16)7-11/h2-4,7,10H,5-6,8-9H2,1H3,(H,17,19)
InChIKeyAVNFHKWMSHJPQC-UHFFFAOYSA-N
MW356.90 g/mol
LogP3.39
Rot. Bonds8

About 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide

2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 16900526) has the molecular formula C15H17ClN2O2S2 and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
PubChem CID16900526
Molecular FormulaC15H17ClN2O2S2
Molecular Weight356.90 g/mol
Exact Mass356.04
IUPAC Name2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1
InChIInChI=1S/C15H17ClN2O2S2/c1-20-6-5-17-14(19)8-13-10-22-15(18-13)21-9-11-3-2-4-12(16)7-11/h2-4,7,10H,5-6,8-9H2,1H3,(H,17,19)
InChIKeyAVNFHKWMSHJPQC-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16900519
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide
CID 16900525
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-phenylpropyl)acetamide
CID 16900551
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 16900521
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16900065
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 16900584
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxy-4-methylphenyl)acetamide
CID 16900611
N-(3-chloro-4-methoxyphenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900616
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 16900558
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899931
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 16900143

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide (CID 16900526) is 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is AVNFHKWMSHJPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S2/c1-20-6-5-17-14(19)8-13-10-22-15(18-13)21-9-11-3-2-4-12(16)7-11/h2-4,7,10H,5-6,8-9H2,1H3,(H,17,19).
What are the key properties of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide?
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 356.90 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 16900526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).