ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate

C12H10ClNO2S — CID 13041816

IUPACethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1ccccc1
InChIInChI=1S/C12H10ClNO2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyGCYRUFVHYNWOFH-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.64
Rot. Bonds3

About ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 13041816) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID13041816
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Nameethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1ccccc1
InChIInChI=1S/C12H10ClNO2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyGCYRUFVHYNWOFH-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate (CID 13041816) is ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cl)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is GCYRUFVHYNWOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 267.74 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 13041816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).