6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine

C15H13ClN2S — CID 154097398

IUPAC6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine
SMILESCC1(c2ccccc2)SC(N)=Nc2ccc(Cl)cc21
InChIInChI=1S/C15H13ClN2S/c1-15(10-5-3-2-4-6-10)12-9-11(16)7-8-13(12)18-14(17)19-15/h2-9H,1H3,(H2,17,18)
InChIKeyIHACQZMICIAUIN-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.30
Rot. Bonds1

About 6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine

6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine (PubChem CID 154097398) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine
PubChem CID154097398
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine
SMILESCC1(c2ccccc2)SC(N)=Nc2ccc(Cl)cc21
InChIInChI=1S/C15H13ClN2S/c1-15(10-5-3-2-4-6-10)12-9-11(16)7-8-13(12)18-14(17)19-15/h2-9H,1H3,(H2,17,18)
InChIKeyIHACQZMICIAUIN-UHFFFAOYSA-N
XLogP4.30
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine?
The IUPAC name of 6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine (CID 154097398) is 6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine.
What is the SMILES notation for 6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine?
The canonical SMILES for 6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine is CC1(c2ccccc2)SC(N)=Nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine?
The InChIKey is IHACQZMICIAUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-15(10-5-3-2-4-6-10)12-9-11(16)7-8-13(12)18-14(17)19-15/h2-9H,1H3,(H2,17,18).
What are the key properties of 6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine?
6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine has a molecular weight of 288.80 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine is sourced from PubChem (CID 154097398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).