2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide

C15H14N2O3S — CID 45224514

IUPAC2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCOC1=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C15H14N2O3S/c18-14(17-11-6-7-20-15(11)19)12-9-21-13(16-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18)
InChIKeyLUVOHODHSNVYLG-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.78
Rot. Bonds4

About 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide

2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 45224514) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID45224514
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCOC1=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C15H14N2O3S/c18-14(17-11-6-7-20-15(11)19)12-9-21-13(16-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18)
InChIKeyLUVOHODHSNVYLG-UHFFFAOYSA-N
XLogP1.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide (CID 45224514) is 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCOC1=O)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LUVOHODHSNVYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-14(17-11-6-7-20-15(11)19)12-9-21-13(16-12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18).
What are the key properties of 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide?
2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45224514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).