7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide

C14H14N2O3S2 — CID 3627144

IUPAC7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(C2c3sc(=O)[nH]c3SCC2C(N)=O)cc1
InChIInChI=1S/C14H14N2O3S2/c1-19-8-4-2-7(3-5-8)10-9(12(15)17)6-20-13-11(10)21-14(18)16-13/h2-5,9-10H,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyWNZGEMXWMYMOQV-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.78
Rot. Bonds3

About 7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide

7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide (PubChem CID 3627144) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide
PubChem CID3627144
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(C2c3sc(=O)[nH]c3SCC2C(N)=O)cc1
InChIInChI=1S/C14H14N2O3S2/c1-19-8-4-2-7(3-5-8)10-9(12(15)17)6-20-13-11(10)21-14(18)16-13/h2-5,9-10H,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyWNZGEMXWMYMOQV-UHFFFAOYSA-N
XLogP1.78
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_E(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide?
The IUPAC name of 7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide (CID 3627144) is 7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide?
The canonical SMILES for 7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide is COc1ccc(C2c3sc(=O)[nH]c3SCC2C(N)=O)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide?
The InChIKey is WNZGEMXWMYMOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-19-8-4-2-7(3-5-8)10-9(12(15)17)6-20-13-11(10)21-14(18)16-13/h2-5,9-10H,6H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide?
7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-oxo-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 3627144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).