6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine

C18H17N3O2S2 — CID 126633964

IUPAC6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1C(N)=NC(c2nc3ccc(-c4ccccc4)cc3s2)CS1(=O)=O
InChIInChI=1S/C18H17N3O2S2/c1-11-17(19)20-15(10-25(11,22)23)18-21-14-8-7-13(9-16(14)24-18)12-5-3-2-4-6-12/h2-9,11,15H,10H2,1H3,(H2,19,20)
InChIKeyXJMQXOKFHFMJDB-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.18
Rot. Bonds2

About 6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine

6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine (PubChem CID 126633964) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine
PubChem CID126633964
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1C(N)=NC(c2nc3ccc(-c4ccccc4)cc3s2)CS1(=O)=O
InChIInChI=1S/C18H17N3O2S2/c1-11-17(19)20-15(10-25(11,22)23)18-21-14-8-7-13(9-16(14)24-18)12-5-3-2-4-6-12/h2-9,11,15H,10H2,1H3,(H2,19,20)
InChIKeyXJMQXOKFHFMJDB-UHFFFAOYSA-N
XLogP3.18
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine?
The IUPAC name of 6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine (CID 126633964) is 6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine.
What is the SMILES notation for 6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine?
The canonical SMILES for 6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine is CC1C(N)=NC(c2nc3ccc(-c4ccccc4)cc3s2)CS1(=O)=O.
What is the InChIKey of 6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine?
The InChIKey is XJMQXOKFHFMJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-11-17(19)20-15(10-25(11,22)23)18-21-14-8-7-13(9-16(14)24-18)12-5-3-2-4-6-12/h2-9,11,15H,10H2,1H3,(H2,19,20).
What are the key properties of 6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine?
6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine has a molecular weight of 371.49 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxo-3-(6-phenyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 126633964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).