ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate

C15H13N3O2S — CID 142317159

IUPACethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1-c1ncc(-c2ccccc2)s1
InChIInChI=1S/C15H13N3O2S/c1-2-20-14(19)12-8-16-10-18(12)15-17-9-13(21-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyMWPAAIYRTWHNGF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.17
Rot. Bonds4

About ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate

ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate (PubChem CID 142317159) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate
PubChem CID142317159
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Nameethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1-c1ncc(-c2ccccc2)s1
InChIInChI=1S/C15H13N3O2S/c1-2-20-14(19)12-8-16-10-18(12)15-17-9-13(21-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyMWPAAIYRTWHNGF-UHFFFAOYSA-N
XLogP3.17
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate
CID 134397821
ethyl 3-(6-phenylpyridazin-3-yl)imidazole-4-carboxylate
CID 134397415
ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate
CID 155342529
ethyl 3-(3H-isoindol-1-yl)imidazole-4-carboxylate
CID 159425134
ethyl 3-(3-ethoxycarbonyl-2-nitrosophenyl)imidazole-4-carboxylate
CID 89015621
ethyl 3-[2-(1,2-dibromopropan-2-yl)-6-methylphenyl]imidazole-4-carboxylate
CID 70416355
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
ethane;ethyl 3-(1H-pyrazol-5-yl)imidazole-4-carboxylate
CID 142316978
ethane;ethyl 3-aminoimidazole-4-carboxylate
CID 145329621
ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate
CID 175931630
ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate
CID 134940968
ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 90023168

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate (CID 142317159) is ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate is CCOC(=O)c1cncn1-c1ncc(-c2ccccc2)s1.
What is the InChIKey of ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
The InChIKey is MWPAAIYRTWHNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-14(19)12-8-16-10-18(12)15-17-9-13(21-15)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate?
ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate has a molecular weight of 299.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxylate is sourced from PubChem (CID 142317159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).