1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone

C12H10Cl2N2OS — CID 79376164

IUPAC1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-6-11(7(2)17)12(18-16-6)15-10-4-3-8(13)5-9(10)14/h3-5,15H,1-2H3
InChIKeyUDWNQMIJUKUNCW-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.70
Rot. Bonds3

About 1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone

1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79376164) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79376164
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-6-11(7(2)17)12(18-16-6)15-10-4-3-8(13)5-9(10)14/h3-5,15H,1-2H3
InChIKeyUDWNQMIJUKUNCW-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375825
5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376487
1-[5-[(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79371423
5-(2-chloro-4-cyanoanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107810494
1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4185103
1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 106760958
ethyl 5-(2-chloro-4-cyanoanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 107810495
1-[5-(4-iodoanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375577
1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375648
5-[2-(2,4-dichlorophenyl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402437
1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone
CID 79375148
5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid
CID 106696737

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79376164) is 1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is UDWNQMIJUKUNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-6-11(7(2)17)12(18-16-6)15-10-4-3-8(13)5-9(10)14/h3-5,15H,1-2H3.
What are the key properties of 1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 301.20 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79376164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).