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

C12H10Cl2N2OS — CID 4185103

IUPAC1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C12H10Cl2N2OS/c1-6-11(7(2)17)18-12(15-6)16-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H,15,16)
InChIKeyQVUGOVKRYHRCQN-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.70
Rot. Bonds3

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

1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 4185103) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID4185103
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C12H10Cl2N2OS/c1-6-11(7(2)17)18-12(15-6)16-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H,15,16)
InChIKeyQVUGOVKRYHRCQN-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

5-acetyl-2-(2,4-dichloroanilino)-1,3-thiazole-4-carboxylic acid
CID 106696737
1-[2-(3-chloro-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4816637
methyl 2-(2,4-dichloroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306591
5-acetyl-2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696876
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide
CID 11177040
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79376164
1-[2-[4-chloro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118732493
1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363
methyl 2-(2-chloroanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916398
5-acetyl-2-(2-chloro-4-cyanoanilino)-1,3-thiazole-4-carboxylic acid
CID 107810511
1-[2-[(7-chloronaphthalen-1-yl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 146096663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 4185103) is 1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Nc2ccc(Cl)cc2Cl)nc1C.
What is the InChIKey of 1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is QVUGOVKRYHRCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-6-11(7(2)17)18-12(15-6)16-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H,15,16).
What are the key properties of 1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-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-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 4185103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).