N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

C16H12Cl2N2OS2 — CID 18827722

IUPACN-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C16H12Cl2N2OS2/c17-11-4-10(5-12(18)7-11)6-14-9-19-16(23-14)20-15(21)8-13-2-1-3-22-13/h1-5,7,9H,6,8H2,(H,19,20,21)
InChIKeyQJCXJCJCUAZWRO-UHFFFAOYSA-N
MW383.33 g/mol
LogP5.28
Rot. Bonds5

About N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 18827722) has the molecular formula C16H12Cl2N2OS2 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID18827722
Molecular FormulaC16H12Cl2N2OS2
Molecular Weight383.33 g/mol
Exact Mass381.98
IUPAC NameN-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C16H12Cl2N2OS2/c17-11-4-10(5-12(18)7-11)6-14-9-19-16(23-14)20-15(21)8-13-2-1-3-22-13/h1-5,7,9H,6,8H2,(H,19,20,21)
InChIKeyQJCXJCJCUAZWRO-UHFFFAOYSA-N
XLogP5.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827605
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488302
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 42027543
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 2239853
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836221
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827701
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 3925208

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 18827722) is N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is QJCXJCJCUAZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS2/c17-11-4-10(5-12(18)7-11)6-14-9-19-16(23-14)20-15(21)8-13-2-1-3-22-13/h1-5,7,9H,6,8H2,(H,19,20,21).
What are the key properties of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 383.33 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 18827722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).