2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide

C20H22N2O3S — CID 55605803

IUPAC2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccc(C)o3)s2)cc1
InChIInChI=1S/C20H22N2O3S/c1-5-24-16-10-7-15(8-11-16)19-21-14(3)18(26-19)20(23)22(4)12-17-9-6-13(2)25-17/h6-11H,5,12H2,1-4H3
InChIKeyVROHDDGBDMDWGI-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.69
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide

2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 55605803) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID55605803
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccc(C)o3)s2)cc1
InChIInChI=1S/C20H22N2O3S/c1-5-24-16-10-7-15(8-11-16)19-21-14(3)18(26-19)20(23)22(4)12-17-9-6-13(2)25-17/h6-11H,5,12H2,1-4H3
InChIKeyVROHDDGBDMDWGI-UHFFFAOYSA-N
XLogP4.69
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 55605803) is 2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide is CCOc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccc(C)o3)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VROHDDGBDMDWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-5-24-16-10-7-15(8-11-16)19-21-14(3)18(26-19)20(23)22(4)12-17-9-6-13(2)25-17/h6-11H,5,12H2,1-4H3.
What are the key properties of 2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide?
2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N,4-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55605803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).