2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine

C19H16N4S — CID 71682893

IUPAC2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine
SMILESCC1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2S1
InChIInChI=1S/C19H16N4S/c1-19(23-18(20)16-7-2-3-8-17(16)24-19)15-6-4-5-13(9-15)14-10-21-12-22-11-14/h2-12H,1H3,(H2,20,23)
InChIKeyLDYSTRCMWIEPSN-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.83
Rot. Bonds2

About 2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine

2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine (PubChem CID 71682893) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine.

Molecular Properties

Compound Name2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine
PubChem CID71682893
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine
SMILESCC1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2S1
InChIInChI=1S/C19H16N4S/c1-19(23-18(20)16-7-2-3-8-17(16)24-19)15-6-4-5-13(9-15)14-10-21-12-22-11-14/h2-12H,1H3,(H2,20,23)
InChIKeyLDYSTRCMWIEPSN-UHFFFAOYSA-N
XLogP3.83
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine?
The IUPAC name of 2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine (CID 71682893) is 2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine.
What is the SMILES notation for 2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine?
The canonical SMILES for 2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine is CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2S1.
What is the InChIKey of 2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine?
The InChIKey is LDYSTRCMWIEPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-19(23-18(20)16-7-2-3-8-17(16)24-19)15-6-4-5-13(9-15)14-10-21-12-22-11-14/h2-12H,1H3,(H2,20,23).
What are the key properties of 2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine?
2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine has a molecular weight of 332.43 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine is sourced from PubChem (CID 71682893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).