1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide

C19H12N2O3S — CID 4660209

IUPAC1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H12N2O3S/c22-17(21-19-20-10-11-25-19)16-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18(23)24-16/h1-11H,(H,20,21,22)
InChIKeyVIGQHPDVBZRVGU-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.17
Rot. Bonds3

About 1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide

1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide (PubChem CID 4660209) has the molecular formula C19H12N2O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide.

Molecular Properties

Compound Name1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide
PubChem CID4660209
Molecular FormulaC19H12N2O3S
Molecular Weight348.38 g/mol
Exact Mass348.06
IUPAC Name1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C19H12N2O3S/c22-17(21-19-20-10-11-25-19)16-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18(23)24-16/h1-11H,(H,20,21,22)
InChIKeyVIGQHPDVBZRVGU-UHFFFAOYSA-N
XLogP4.17
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide?
The IUPAC name of 1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide (CID 4660209) is 1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide.
What is the SMILES notation for 1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide?
The canonical SMILES for 1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide is O=C(Nc1nccs1)c1oc(=O)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide?
The InChIKey is VIGQHPDVBZRVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3S/c22-17(21-19-20-10-11-25-19)16-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18(23)24-16/h1-11H,(H,20,21,22).
What are the key properties of 1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide?
1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-4-phenyl-N-(1,3-thiazol-2-yl)isochromene-3-carboxamide is sourced from PubChem (CID 4660209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).