4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine

C16H15NS — CID 10800880

IUPAC4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine
SMILESCc1ccc(C2=Nc3ccccc3C(C)S2)cc1
InChIInChI=1S/C16H15NS/c1-11-7-9-13(10-8-11)16-17-15-6-4-3-5-14(15)12(2)18-16/h3-10,12H,1-2H3
InChIKeyMOVHDTPCSGQOEG-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.88
Rot. Bonds1

About 4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine

4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine (PubChem CID 10800880) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine
PubChem CID10800880
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine
SMILESCc1ccc(C2=Nc3ccccc3C(C)S2)cc1
InChIInChI=1S/C16H15NS/c1-11-7-9-13(10-8-11)16-17-15-6-4-3-5-14(15)12(2)18-16/h3-10,12H,1-2H3
InChIKeyMOVHDTPCSGQOEG-UHFFFAOYSA-N
XLogP4.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
CID 23248284
2,3,5-trimethyl-5H-1-benzazepine
CID 86184729
3-methyl-3H-indol-2-amine
CID 59934955
(7R)-7-methyl-3-(4-methylphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 8669710
2-(4-bromophenyl)-3H-indole-3-carbaldehyde
CID 174973416
(4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole
CID 58348711
2-(2-anilino-4H-3,1-benzothiazin-4-yl)-1-(4-methylphenyl)ethanone
CID 132528824
methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate
CID 95789541
N,N-dimethyl-2-(4-methylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-5-amine
CID 58581697
(6S)-6-(2-chlorophenyl)-4-(4-methylphenyl)-6H-1,3-thiazin-2-amine
CID 7912962
2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole
CID 145064414
(2R)-4-(4-bromophenyl)-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
CID 7773778

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine (CID 10800880) is 4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine is Cc1ccc(C2=Nc3ccccc3C(C)S2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine?
The InChIKey is MOVHDTPCSGQOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-11-7-9-13(10-8-11)16-17-15-6-4-3-5-14(15)12(2)18-16/h3-10,12H,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine?
4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine has a molecular weight of 253.37 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-4H-3,1-benzothiazine is sourced from PubChem (CID 10800880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).