ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate

C12H11Cl2NO3S — CID 139219545

IUPACethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1(O)CSC(c2c(Cl)cccc2Cl)=N1
InChIInChI=1S/C12H11Cl2NO3S/c1-2-18-11(16)12(17)6-19-10(15-12)9-7(13)4-3-5-8(9)14/h3-5,17H,2,6H2,1H3
InChIKeyBVJYKWYDCSWZSA-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.74
Rot. Bonds3

About ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate

ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate (PubChem CID 139219545) has the molecular formula C12H11Cl2NO3S and a molecular weight of 320.20 g/mol. Its IUPAC name is ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate
PubChem CID139219545
Molecular FormulaC12H11Cl2NO3S
Molecular Weight320.20 g/mol
Exact Mass318.98
IUPAC Nameethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1(O)CSC(c2c(Cl)cccc2Cl)=N1
InChIInChI=1S/C12H11Cl2NO3S/c1-2-18-11(16)12(17)6-19-10(15-12)9-7(13)4-3-5-8(9)14/h3-5,17H,2,6H2,1H3
InChIKeyBVJYKWYDCSWZSA-UHFFFAOYSA-N
XLogP2.74
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
CID 82363645
ethyl (4S)-4-methyl-2-phenyl-5H-1,3-thiazole-4-carboxylate
CID 11831819
ethyl 1-[(2,6-dichlorophenyl)methyl]cyclopropane-1-carboxylate
CID 125471436
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
ethyl 3-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5-hydroxy-4H-imidazole-5-carboxylate
CID 67032155
ethyl 3-(3-chloro-2-fluorophenyl)-2-(cyclopentylmethyl)-5-hydroxy-4H-imidazole-5-carboxylate
CID 67954578
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-5-hydroxy-4H-imidazole-5-carboxylate
CID 11327437
ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate
CID 11773769
ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate
CID 20511819
ethyl 1-(2-chloroanilino)cyclopropane-1-carboxylate
CID 103439478
hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate (CID 139219545) is ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate is CCOC(=O)C1(O)CSC(c2c(Cl)cccc2Cl)=N1.
What is the InChIKey of ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate?
The InChIKey is BVJYKWYDCSWZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3S/c1-2-18-11(16)12(17)6-19-10(15-12)9-7(13)4-3-5-8(9)14/h3-5,17H,2,6H2,1H3.
What are the key properties of ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate?
ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate has a molecular weight of 320.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dichlorophenyl)-4-hydroxy-5H-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 139219545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).