ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate

C12H18N2O2S — CID 20557025

IUPACethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1C1CCCCC1
InChIInChI=1S/C12H18N2O2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,13,14)
InChIKeyVIMHYKXGBCAHGW-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.95
Rot. Bonds3

About ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate (PubChem CID 20557025) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate
PubChem CID20557025
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1C1CCCCC1
InChIInChI=1S/C12H18N2O2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,13,14)
InChIKeyVIMHYKXGBCAHGW-UHFFFAOYSA-N
XLogP2.95
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate (CID 20557025) is ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1C1CCCCC1.
What is the InChIKey of ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate?
The InChIKey is VIMHYKXGBCAHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-cyclohexyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 20557025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).