ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate

C18H14Cl2N2O2S — CID 1477046

IUPACethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate
SMILESCCOC(=O)c1ccccc1-c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H14Cl2N2O2S/c1-2-24-17(23)13-6-4-3-5-12(13)16-10-25-18(22-16)21-11-7-8-14(19)15(20)9-11/h3-10H,2H2,1H3,(H,21,22)
InChIKeyYUGZCIFBTDNZNA-UHFFFAOYSA-N
MW393.30 g/mol
LogP6.04
Rot. Bonds5

About ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate

ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate (PubChem CID 1477046) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate
PubChem CID1477046
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Nameethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate
SMILESCCOC(=O)c1ccccc1-c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H14Cl2N2O2S/c1-2-24-17(23)13-6-4-3-5-12(13)16-10-25-18(22-16)21-11-7-8-14(19)15(20)9-11/h3-10H,2H2,1H3,(H,21,22)
InChIKeyYUGZCIFBTDNZNA-UHFFFAOYSA-N
XLogP6.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.30
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
CID 1477063
ethyl 2-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
diethyl 4-[3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 88647064
1-[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338292
ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
diethyl 4-[3-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 88646496
ethyl 5-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 122183965
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 42764618
methyl 3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate?
The IUPAC name of ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate (CID 1477046) is ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate.
What is the SMILES notation for ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate?
The canonical SMILES for ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate is CCOC(=O)c1ccccc1-c1csc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate?
The InChIKey is YUGZCIFBTDNZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-2-24-17(23)13-6-4-3-5-12(13)16-10-25-18(22-16)21-11-7-8-14(19)15(20)9-11/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate?
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate has a molecular weight of 393.30 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate is sourced from PubChem (CID 1477046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).