N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide

C20H18N2O3S — CID 46846708

IUPACN-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1nc(-c2ccc(OC)c3oc4ccccc4c23)sc1C
InChIInChI=1S/C20H18N2O3S/c1-4-21-19(23)17-11(2)26-20(22-17)13-9-10-15(24-3)18-16(13)12-7-5-6-8-14(12)25-18/h5-10H,4H2,1-3H3,(H,21,23)
InChIKeyXWCNJABKFQVGTQ-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.78
Rot. Bonds4

About N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 46846708) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID46846708
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1nc(-c2ccc(OC)c3oc4ccccc4c23)sc1C
InChIInChI=1S/C20H18N2O3S/c1-4-21-19(23)17-11(2)26-20(22-17)13-9-10-15(24-3)18-16(13)12-7-5-6-8-14(12)25-18/h5-10H,4H2,1-3H3,(H,21,23)
InChIKeyXWCNJABKFQVGTQ-UHFFFAOYSA-N
XLogP4.78
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 46846708) is N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1nc(-c2ccc(OC)c3oc4ccccc4c23)sc1C.
What is the InChIKey of N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is XWCNJABKFQVGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-4-21-19(23)17-11(2)26-20(22-17)13-9-10-15(24-3)18-16(13)12-7-5-6-8-14(12)25-18/h5-10H,4H2,1-3H3,(H,21,23).
What are the key properties of N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxydibenzofuran-1-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46846708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).