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

C12H16ClNO3S — CID 156544988

IUPACethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1OC1CCCCC1
InChIInChI=1S/C12H16ClNO3S/c1-2-16-11(15)9-10(14-12(13)18-9)17-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyDXFDJLNYZTZNIS-UHFFFAOYSA-N
MW289.78 g/mol
LogP3.68
Rot. Bonds4

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

ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate (PubChem CID 156544988) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate
PubChem CID156544988
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Nameethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1OC1CCCCC1
InChIInChI=1S/C12H16ClNO3S/c1-2-16-11(15)9-10(14-12(13)18-9)17-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyDXFDJLNYZTZNIS-UHFFFAOYSA-N
XLogP3.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate (CID 156544988) is ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cl)nc1OC1CCCCC1.
What is the InChIKey of ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate?
The InChIKey is DXFDJLNYZTZNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-2-16-11(15)9-10(14-12(13)18-9)17-8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate?
ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate has a molecular weight of 289.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-cyclohexyloxy-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 156544988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).