5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole

C20H17N3O4S2 — CID 59139411

IUPAC5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole
SMILESCc1c(Cc2cccc(NS(N)(=O)=O)c2)c(=O)oc2cc(-c3cncs3)ccc12
InChIInChI=1S/C20H17N3O4S2/c1-12-16-6-5-14(19-10-22-11-28-19)9-18(16)27-20(24)17(12)8-13-3-2-4-15(7-13)23-29(21,25)26/h2-7,9-11,23H,8H2,1H3,(H2,21,25,26)
InChIKeyBORWCUORCGWEPS-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.43
Rot. Bonds5

About 5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole

5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole (PubChem CID 59139411) has the molecular formula C20H17N3O4S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole
PubChem CID59139411
Molecular FormulaC20H17N3O4S2
Molecular Weight427.51 g/mol
Exact Mass427.07
IUPAC Name5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole
SMILESCc1c(Cc2cccc(NS(N)(=O)=O)c2)c(=O)oc2cc(-c3cncs3)ccc12
InChIInChI=1S/C20H17N3O4S2/c1-12-16-6-5-14(19-10-22-11-28-19)9-18(16)27-20(24)17(12)8-13-3-2-4-15(7-13)23-29(21,25)26/h2-7,9-11,23H,8H2,1H3,(H2,21,25,26)
InChIKeyBORWCUORCGWEPS-UHFFFAOYSA-N
XLogP3.43
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole?
The IUPAC name of 5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole (CID 59139411) is 5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole.
What is the SMILES notation for 5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole?
The canonical SMILES for 5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole is Cc1c(Cc2cccc(NS(N)(=O)=O)c2)c(=O)oc2cc(-c3cncs3)ccc12.
What is the InChIKey of 5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole?
The InChIKey is BORWCUORCGWEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S2/c1-12-16-6-5-14(19-10-22-11-28-19)9-18(16)27-20(24)17(12)8-13-3-2-4-15(7-13)23-29(21,25)26/h2-7,9-11,23H,8H2,1H3,(H2,21,25,26).
What are the key properties of 5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole?
5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole has a molecular weight of 427.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole is sourced from PubChem (CID 59139411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).