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

C19H16Cl2N2OS — CID 43031352

IUPACN-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C19H16Cl2N2OS/c1-12(14-6-2-4-8-16(14)20)22-18(24)10-13-11-25-19(23-13)15-7-3-5-9-17(15)21/h2-9,11-12H,10H2,1H3,(H,22,24)
InChIKeyFBBABVJOQWCTGY-UHFFFAOYSA-N
MW391.32 g/mol
LogP5.54
Rot. Bonds5

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

N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 43031352) has the molecular formula C19H16Cl2N2OS and a molecular weight of 391.32 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID43031352
Molecular FormulaC19H16Cl2N2OS
Molecular Weight391.32 g/mol
Exact Mass390.04
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C19H16Cl2N2OS/c1-12(14-6-2-4-8-16(14)20)22-18(24)10-13-11-25-19(23-13)15-7-3-5-9-17(15)21/h2-9,11-12H,10H2,1H3,(H,22,24)
InChIKeyFBBABVJOQWCTGY-UHFFFAOYSA-N
XLogP5.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 43031335
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305146
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)propyl]acetamide
CID 46432452
N-[(1S)-1-(1-adamantyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 7669216
(1R)-1-(2-chlorophenyl)-N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9306498
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenylpropyl)acetamide
CID 43017112
N-(3-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119996517
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9457086
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 74586473

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide (CID 43031352) is N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide is CC(NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is FBBABVJOQWCTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS/c1-12(14-6-2-4-8-16(14)20)22-18(24)10-13-11-25-19(23-13)15-7-3-5-9-17(15)21/h2-9,11-12H,10H2,1H3,(H,22,24).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 391.32 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 43031352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).