(4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate

C17H17N3O3S — CID 84592763

IUPAC(4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCOc1cccc(-c2nc(C(=O)OCc3scnc3C)c(C)[nH]2)c1
InChIInChI=1S/C17H17N3O3S/c1-10-14(24-9-18-10)8-23-17(21)15-11(2)19-16(20-15)12-5-4-6-13(7-12)22-3/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyKUZMFLWWBIRHSY-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.52
Rot. Bonds5

About (4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate

(4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate (PubChem CID 84592763) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
PubChem CID84592763
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name(4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
SMILESCOc1cccc(-c2nc(C(=O)OCc3scnc3C)c(C)[nH]2)c1
InChIInChI=1S/C17H17N3O3S/c1-10-14(24-9-18-10)8-23-17(21)15-11(2)19-16(20-15)12-5-4-6-13(7-12)22-3/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyKUZMFLWWBIRHSY-UHFFFAOYSA-N
XLogP3.52
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 71905690
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 75433034
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301525
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
CID 166192657
(E)-3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]prop-2-enoic acid
CID 82300310
(2-fluoro-4-methylphenyl)methyl 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
CID 166392306
benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 44556824
2-(3-methoxyphenyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
CID 75389681
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
CID 7776653
2-(3-methoxyphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475731
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 7838007

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate (CID 84592763) is (4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate is COc1cccc(-c2nc(C(=O)OCc3scnc3C)c(C)[nH]2)c1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
The InChIKey is KUZMFLWWBIRHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-14(24-9-18-10)8-23-17(21)15-11(2)19-16(20-15)12-5-4-6-13(7-12)22-3/h4-7,9H,8H2,1-3H3,(H,19,20).
What are the key properties of (4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate?
(4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate has a molecular weight of 343.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 84592763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).