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

C15H17ClN2OS2 — CID 16900519

IUPAC2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1
InChIInChI=1S/C15H17ClN2OS2/c1-2-6-17-14(19)8-13-10-21-15(18-13)20-9-11-4-3-5-12(16)7-11/h3-5,7,10H,2,6,8-9H2,1H3,(H,17,19)
InChIKeyXZICEUODZOTFBE-UHFFFAOYSA-N
MW340.90 g/mol
LogP4.16
Rot. Bonds7

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

2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide (PubChem CID 16900519) has the molecular formula C15H17ClN2OS2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
PubChem CID16900519
Molecular FormulaC15H17ClN2OS2
Molecular Weight340.90 g/mol
Exact Mass340.05
IUPAC Name2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1
InChIInChI=1S/C15H17ClN2OS2/c1-2-6-17-14(19)8-13-10-21-15(18-13)20-9-11-4-3-5-12(16)7-11/h3-5,7,10H,2,6,8-9H2,1H3,(H,17,19)
InChIKeyXZICEUODZOTFBE-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16900526
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide
CID 16900525
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899931
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-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 16900558
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 16900584
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899798
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16900058
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-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide (CID 16900519) is 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide is CCCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
The InChIKey is XZICEUODZOTFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS2/c1-2-6-17-14(19)8-13-10-21-15(18-13)20-9-11-4-3-5-12(16)7-11/h3-5,7,10H,2,6,8-9H2,1H3,(H,17,19).
What are the key properties of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide?
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide has a molecular weight of 340.90 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide is sourced from PubChem (CID 16900519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).