4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one

C18H15N5O2S — CID 22333187

IUPAC4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one
SMILESCOc1ccc2sc(Nc3nc(C)n(-c4ccccc4)c(=O)n3)nc2c1
InChIInChI=1S/C18H15N5O2S/c1-11-19-16(22-18(24)23(11)12-6-4-3-5-7-12)21-17-20-14-10-13(25-2)8-9-15(14)26-17/h3-10H,1-2H3,(H,20,21,22,24)
InChIKeyHXNNUAHARNNZMA-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.30
Rot. Bonds4

About 4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one

4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one (PubChem CID 22333187) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one
PubChem CID22333187
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one
SMILESCOc1ccc2sc(Nc3nc(C)n(-c4ccccc4)c(=O)n3)nc2c1
InChIInChI=1S/C18H15N5O2S/c1-11-19-16(22-18(24)23(11)12-6-4-3-5-7-12)21-17-20-14-10-13(25-2)8-9-15(14)26-17/h3-10H,1-2H3,(H,20,21,22,24)
InChIKeyHXNNUAHARNNZMA-UHFFFAOYSA-N
XLogP3.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one?
The IUPAC name of 4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one (CID 22333187) is 4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one.
What is the SMILES notation for 4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one?
The canonical SMILES for 4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one is COc1ccc2sc(Nc3nc(C)n(-c4ccccc4)c(=O)n3)nc2c1.
What is the InChIKey of 4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one?
The InChIKey is HXNNUAHARNNZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-11-19-16(22-18(24)23(11)12-6-4-3-5-7-12)21-17-20-14-10-13(25-2)8-9-15(14)26-17/h3-10H,1-2H3,(H,20,21,22,24).
What are the key properties of 4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one?
4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one has a molecular weight of 365.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1-phenyl-1,3,5-triazin-2-one is sourced from PubChem (CID 22333187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).