ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate

C12H10ClNO3S — CID 59823678

IUPACethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Oc2cccc(Cl)c2)s1
InChIInChI=1S/C12H10ClNO3S/c1-2-16-11(15)10-7-14-12(18-10)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3
InChIKeyIRSOKFRIKYVEEO-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.77
Rot. Bonds4

About ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate

ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate (PubChem CID 59823678) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate
PubChem CID59823678
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Nameethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Oc2cccc(Cl)c2)s1
InChIInChI=1S/C12H10ClNO3S/c1-2-16-11(15)10-7-14-12(18-10)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3
InChIKeyIRSOKFRIKYVEEO-UHFFFAOYSA-N
XLogP3.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chlorophenoxy)-1,3-thiazol-5-yl] ethyl carbonate
CID 91050842
chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 20535196
ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate
CID 154793634
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
ethyl 3-(3,5-dichlorophenoxy)benzoate
CID 170871962
ethyl 5-(3-methylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612799
ethyl 2-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 11232887
ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 141359710
ethyl 2-[4-[[5-[(E,3S)-3-acetamidobut-1-enyl]-2-pyridinyl]oxy]-3-chlorophenoxy]-1,3-thiazole-5-carboxylate
CID 118346079
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 2-ethylsulfanyl-1,3-thiazole-5-carboxylate
CID 173319674
ethyl 5-(3-chlorophenoxy)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 71228253

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate (CID 59823678) is ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(Oc2cccc(Cl)c2)s1.
What is the InChIKey of ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate?
The InChIKey is IRSOKFRIKYVEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-2-16-11(15)10-7-14-12(18-10)17-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate?
ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate has a molecular weight of 283.74 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59823678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).