3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione

C16H10ClN3O3S — CID 1213295

IUPAC3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESCOc1ccc2c(c1)sc1nc(=O)n(-c3cccc(Cl)c3)c(=O)n12
InChIInChI=1S/C16H10ClN3O3S/c1-23-11-5-6-12-13(8-11)24-15-18-14(21)19(16(22)20(12)15)10-4-2-3-9(17)7-10/h2-8H,1H3
InChIKeyWZXVKFIBUSGTCO-UHFFFAOYSA-N
MW359.79 g/mol
LogP2.72
Rot. Bonds2

About 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione

3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (PubChem CID 1213295) has the molecular formula C16H10ClN3O3S and a molecular weight of 359.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
PubChem CID1213295
Molecular FormulaC16H10ClN3O3S
Molecular Weight359.79 g/mol
Exact Mass359.01
IUPAC Name3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESCOc1ccc2c(c1)sc1nc(=O)n(-c3cccc(Cl)c3)c(=O)n12
InChIInChI=1S/C16H10ClN3O3S/c1-23-11-5-6-12-13(8-11)24-15-18-14(21)19(16(22)20(12)15)10-4-2-3-9(17)7-10/h2-8H,1H3
InChIKeyWZXVKFIBUSGTCO-UHFFFAOYSA-N
XLogP2.72
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The IUPAC name of 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (CID 1213295) is 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The canonical SMILES for 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is COc1ccc2c(c1)sc1nc(=O)n(-c3cccc(Cl)c3)c(=O)n12.
What is the InChIKey of 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The InChIKey is WZXVKFIBUSGTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O3S/c1-23-11-5-6-12-13(8-11)24-15-18-14(21)19(16(22)20(12)15)10-4-2-3-9(17)7-10/h2-8H,1H3.
What are the key properties of 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione has a molecular weight of 359.79 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is sourced from PubChem (CID 1213295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).