ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate

C12H19N3O3S — CID 146026390

IUPACethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1(O)N=C(N)S/C1=N\C1CCCCC1
InChIInChI=1S/C12H19N3O3S/c1-2-18-10(16)12(17)9(19-11(13)15-12)14-8-6-4-3-5-7-8/h8,17H,2-7H2,1H3,(H2,13,15)/b14-9-
InChIKeyWGJMAJQQMVWCLM-ZROIWOOFSA-N
MW285.37 g/mol
LogP1.03
Rot. Bonds3

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

ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate (PubChem CID 146026390) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate
PubChem CID146026390
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Nameethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1(O)N=C(N)S/C1=N\C1CCCCC1
InChIInChI=1S/C12H19N3O3S/c1-2-18-10(16)12(17)9(19-11(13)15-12)14-8-6-4-3-5-7-8/h8,17H,2-7H2,1H3,(H2,13,15)/b14-9-
InChIKeyWGJMAJQQMVWCLM-ZROIWOOFSA-N
XLogP1.03
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Methyl (z)-5-(cyclohexylimino)-4-hydroxy-2-iminothiazolidine-4-carboxylate
CID 146026381

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate (CID 146026390) is ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate is CCOC(=O)C1(O)N=C(N)S/C1=N\C1CCCCC1.
What is the InChIKey of ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate?
The InChIKey is WGJMAJQQMVWCLM-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-18-10(16)12(17)9(19-11(13)15-12)14-8-6-4-3-5-7-8/h8,17H,2-7H2,1H3,(H2,13,15)/b14-9-.
What are the key properties of ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate?
ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate has a molecular weight of 285.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 146026390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).