[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate

C19H15N3O3S — CID 32913848

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C19H15N3O3S/c1-13-8-9-20-22(13)16-6-4-14(5-7-16)19(23)25-11-15-12-26-18(21-15)17-3-2-10-24-17/h2-10,12H,11H2,1H3
InChIKeyHEBOXGLGSKOIKI-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.25
Rot. Bonds5

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate (PubChem CID 32913848) 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 4-(5-methylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate
PubChem CID32913848
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1
InChIInChI=1S/C19H15N3O3S/c1-13-8-9-20-22(13)16-6-4-14(5-7-16)19(23)25-11-15-12-26-18(21-15)17-3-2-10-24-17/h2-10,12H,11H2,1H3
InChIKeyHEBOXGLGSKOIKI-UHFFFAOYSA-N
XLogP4.25
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate
CID 32757862
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55514433
[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 5-methyl-2-phenyl-1H-imidazole-4-carboxylate
CID 166192657
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 55817897
(2-cyanophenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 8641051
(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 9382317
[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 3-benzamidobutanoate
CID 55529422
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55528539
methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate
CID 8553043
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 32743449

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate (CID 32913848) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate is Cc1ccnn1-c1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate?
The InChIKey is HEBOXGLGSKOIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-13-8-9-20-22(13)16-6-4-14(5-7-16)19(23)25-11-15-12-26-18(21-15)17-3-2-10-24-17/h2-10,12H,11H2,1H3.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate has a molecular weight of 365.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate is sourced from PubChem (CID 32913848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).