ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate

C12H10Cl2N2O2S — CID 80568594

IUPACethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H10Cl2N2O2S/c1-2-18-11(17)9-6-19-12(15-9)16-10-7(13)4-3-5-8(10)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyHHWFWTNFSIEVFH-UHFFFAOYSA-N
MW317.20 g/mol
LogP4.37
Rot. Bonds4

About ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate

ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate (PubChem CID 80568594) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
PubChem CID80568594
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Nameethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H10Cl2N2O2S/c1-2-18-11(17)9-6-19-12(15-9)16-10-7(13)4-3-5-8(10)14/h3-6H,2H2,1H3,(H,15,16)
InChIKeyHHWFWTNFSIEVFH-UHFFFAOYSA-N
XLogP4.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
ethyl 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 80567979
ethyl 2-(2-bromo-6-chloro-4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 107617594
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2-[1-(2-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 80568153
ethyl 2-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80568492
ethyl 2-(2,6-dibromo-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 80567895
2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80569393
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
methyl 2-[2-chloro-6-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylate
CID 115422959

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate (CID 80568594) is ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate?
The InChIKey is HHWFWTNFSIEVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-2-18-11(17)9-6-19-12(15-9)16-10-7(13)4-3-5-8(10)14/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate?
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate has a molecular weight of 317.20 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).