2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide

C15H14Cl2N2OS2 — CID 16900185

IUPAC2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1csc(SCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H14Cl2N2OS2/c1-2-5-18-14(20)7-12-9-22-15(19-12)21-8-10-3-4-11(16)6-13(10)17/h2-4,6,9H,1,5,7-8H2,(H,18,20)
InChIKeyYNPOJHVTHYZHME-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.59
Rot. Bonds7

About 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide

2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide (PubChem CID 16900185) has the molecular formula C15H14Cl2N2OS2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
PubChem CID16900185
Molecular FormulaC15H14Cl2N2OS2
Molecular Weight373.33 g/mol
Exact Mass371.99
IUPAC Name2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1csc(SCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H14Cl2N2OS2/c1-2-5-18-14(20)7-12-9-22-15(19-12)21-8-10-3-4-11(16)6-13(10)17/h2-4,6,9H,1,5,7-8H2,(H,18,20)
InChIKeyYNPOJHVTHYZHME-UHFFFAOYSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 16900183
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide
CID 16900186
N-(cyclohexylmethyl)-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900243
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 16900397
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 16900220
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
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-propylacetamide
CID 16900519
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938
2-[2-[(2-chloro-4-cyanophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 102663412
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16900526
N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900041

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide (CID 16900185) is 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cc1csc(SCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The InChIKey is YNPOJHVTHYZHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS2/c1-2-5-18-14(20)7-12-9-22-15(19-12)21-8-10-3-4-11(16)6-13(10)17/h2-4,6,9H,1,5,7-8H2,(H,18,20).
What are the key properties of 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide has a molecular weight of 373.33 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 16900185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).