2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide

C17H20N2O3S — CID 51079000

IUPAC2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NCC3CCOC3)cs2)cc1
InChIInChI=1S/C17H20N2O3S/c1-2-22-14-5-3-13(4-6-14)17-19-15(11-23-17)16(20)18-9-12-7-8-21-10-12/h3-6,11-12H,2,7-10H2,1H3,(H,18,20)
InChIKeyPGIWYIFZIFMPJT-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.98
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 51079000) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID51079000
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NCC3CCOC3)cs2)cc1
InChIInChI=1S/C17H20N2O3S/c1-2-22-14-5-3-13(4-6-14)17-19-15(11-23-17)16(20)18-9-12-7-8-21-10-12/h3-6,11-12H,2,7-10H2,1H3,(H,18,20)
InChIKeyPGIWYIFZIFMPJT-UHFFFAOYSA-N
XLogP2.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 51079000) is 2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NCC3CCOC3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PGIWYIFZIFMPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-22-14-5-3-13(4-6-14)17-19-15(11-23-17)16(20)18-9-12-7-8-21-10-12/h3-6,11-12H,2,7-10H2,1H3,(H,18,20).
What are the key properties of 2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51079000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).