[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate

C19H15N3O3S — CID 166192657

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)OCc1csc(-c2ccco2)n1
InChIInChI=1S/C19H15N3O3S/c1-12-16(22-17(20-12)13-6-3-2-4-7-13)19(23)25-10-14-11-26-18(21-14)15-8-5-9-24-15/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyJWPICCIQYOMAPH-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.46
Rot. Bonds5

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate (PubChem CID 166192657) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
PubChem CID166192657
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)OCc1csc(-c2ccco2)n1
InChIInChI=1S/C19H15N3O3S/c1-12-16(22-17(20-12)13-6-3-2-4-7-13)19(23)25-10-14-11-26-18(21-14)15-8-5-9-24-15/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyJWPICCIQYOMAPH-UHFFFAOYSA-N
XLogP4.46
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55528539
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 32913848
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55530063
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate
CID 55529422
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate
CID 32757862
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8631782
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 42938587
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 32743449
(2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
CID 166392306
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 32762869
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55514433

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate (CID 166192657) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate is Cc1[nH]c(-c2ccccc2)nc1C(=O)OCc1csc(-c2ccco2)n1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
The InChIKey is JWPICCIQYOMAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-12-16(22-17(20-12)13-6-3-2-4-7-13)19(23)25-10-14-11-26-18(21-14)15-8-5-9-24-15/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate has a molecular weight of 365.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 166192657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).