ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate

C15H23N3O3S — CID 146026432

IUPACethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)C1(O)/C(=N/C2CCCCC2)SC2=NCCCN21
InChIInChI=1S/C15H23N3O3S/c1-2-21-13(19)15(20)12(17-11-7-4-3-5-8-11)22-14-16-9-6-10-18(14)15/h11,20H,2-10H2,1H3/b17-12-
InChIKeyUFSSXEQPPQEUIM-ATVHPVEESA-N
MW325.43 g/mol
LogP1.78
Rot. Bonds3

About ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate

ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate (PubChem CID 146026432) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate
PubChem CID146026432
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Nameethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)C1(O)/C(=N/C2CCCCC2)SC2=NCCCN21
InChIInChI=1S/C15H23N3O3S/c1-2-21-13(19)15(20)12(17-11-7-4-3-5-8-11)22-14-16-9-6-10-18(14)15/h11,20H,2-10H2,1H3/b17-12-
InChIKeyUFSSXEQPPQEUIM-ATVHPVEESA-N
XLogP1.78
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-5-cyclohexylimino-4-hydroxy-1,3-thiazole-4-carboxylate
CID 146026381
ethyl 2-(2-cycloheptylimino-3-cyclopropyl-5-methyl-1,3-thiazol-4-yl)acetate
CID 46863274
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
diethyl 3,4,5,6,7-pentamethyl-8-piperidin-1-yl-9-aza-10-phosphatetracyclo[4.4.0.02,10.03,7]deca-4,8-diene-1,2-dicarboxylate
CID 101011767
ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate
CID 59584750
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526701
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640
ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066918
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl 2-cyclohexyl-2-piperidin-1-ylacetate
CID 117066804

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate (CID 146026432) is ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate is CCOC(=O)C1(O)/C(=N/C2CCCCC2)SC2=NCCCN21.
What is the InChIKey of ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate?
The InChIKey is UFSSXEQPPQEUIM-ATVHPVEESA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-21-13(19)15(20)12(17-11-7-4-3-5-8-11)22-14-16-9-6-10-18(14)15/h11,20H,2-10H2,1H3/b17-12-.
What are the key properties of ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate?
ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate has a molecular weight of 325.43 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexylimino-3-hydroxy-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 146026432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).