6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine

C20H16N2S — CID 14690176

IUPAC6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine
SMILESCc1ccc2c(c1)s/c(=N\c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C20H16N2S/c1-15-12-13-18-19(14-15)23-20(21-16-8-4-2-5-9-16)22(18)17-10-6-3-7-11-17/h2-14H,1H3/b21-20-
InChIKeyLWTWQJQQFSLVDE-MRCUWXFGSA-N
MW316.43 g/mol
LogP5.23
Rot. Bonds2

About 6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine

6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine (PubChem CID 14690176) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine
PubChem CID14690176
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine
SMILESCc1ccc2c(c1)s/c(=N\c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C20H16N2S/c1-15-12-13-18-19(14-15)23-20(21-16-8-4-2-5-9-16)22(18)17-10-6-3-7-11-17/h2-14H,1H3/b21-20-
InChIKeyLWTWQJQQFSLVDE-MRCUWXFGSA-N
XLogP5.23
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylphenyl)-N,3-diphenyl-1,3-thiazol-2-imine bromide
CID 21203040
(Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride
CID 56642950
4-(4-methoxyphenyl)-5-methyl-N,3-diphenyl-1,3-thiazol-2-imine bromide
CID 21180197
(Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine
CID 7312942
7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one
CID 102071071
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 4984113
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 4099388
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
3-iodo-6-methyl-9-phenylcarbazole
CID 121336182
6-methyl-9-phenylcarbazole-3-thiol
CID 143213291
N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenylsulfanylacetamide
CID 41124834
N,N-diethyl-3-(4-methylphenyl)-5-phenyl-2-phenylimino-1,3-thiazole-4-carboxamide
CID 5183904

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine?
The IUPAC name of 6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine (CID 14690176) is 6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for 6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine?
The canonical SMILES for 6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine is Cc1ccc2c(c1)s/c(=N\c1ccccc1)n2-c1ccccc1.
What is the InChIKey of 6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine?
The InChIKey is LWTWQJQQFSLVDE-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H16N2S/c1-15-12-13-18-19(14-15)23-20(21-16-8-4-2-5-9-16)22(18)17-10-6-3-7-11-17/h2-14H,1H3/b21-20-.
What are the key properties of 6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine?
6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine has a molecular weight of 316.43 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 14690176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).