2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol

C24H24N2OS — CID 129137930

IUPAC2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1nc2c(C)cc(CNCCO)cc2s1
InChIInChI=1S/C24H24N2OS/c1-16-13-18(15-25-11-12-27)14-22-23(16)26-24(28-22)21-10-6-9-20(17(21)2)19-7-4-3-5-8-19/h3-10,13-14,25,27H,11-12,15H2,1-2H3
InChIKeyVFOMDPPPRGYNHX-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.33
Rot. Bonds6

About 2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol

2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol (PubChem CID 129137930) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol
PubChem CID129137930
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol
SMILESCc1c(-c2ccccc2)cccc1-c1nc2c(C)cc(CNCCO)cc2s1
InChIInChI=1S/C24H24N2OS/c1-16-13-18(15-25-11-12-27)14-22-23(16)26-24(28-22)21-10-6-9-20(17(21)2)19-7-4-3-5-8-19/h3-10,13-14,25,27H,11-12,15H2,1-2H3
InChIKeyVFOMDPPPRGYNHX-UHFFFAOYSA-N
XLogP5.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[7-bromo-2-(2-methyl-3-phenylphenyl)indazol-5-yl]methylamino]ethanol
CID 146342465
2-[6-(2,5-dimethylphenyl)-4-phenyl-1,3-benzothiazol-2-yl]aniline
CID 138712488
4,5-dimethyl-2-phenyl-1,3-benzothiazole
CID 141364490
2-[[2-(2-methyl-3-phenylphenyl)-1,3-dihydroisoindol-5-yl]methylamino]ethanol
CID 135146919
2-[[3-(7-methyl-6-phenyl-1,3-benzoxazol-2-yl)phenyl]methylamino]ethanol
CID 177379626
2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol
CID 146339448
5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione
CID 156771398
2-[6-butyl-4-(3-phenylphenyl)-1,3-benzothiazol-2-yl]aniline
CID 138712126
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781
4-[[3-methyl-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]butan-2-one
CID 121460110
4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 66836122
2-[[3-[4-[(2-methyl-3-phenylphenyl)methoxymethyl]triazol-1-yl]phenyl]methylamino]ethanol
CID 165179512

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol?
The IUPAC name of 2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol (CID 129137930) is 2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol?
The canonical SMILES for 2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol is Cc1c(-c2ccccc2)cccc1-c1nc2c(C)cc(CNCCO)cc2s1.
What is the InChIKey of 2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol?
The InChIKey is VFOMDPPPRGYNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c1-16-13-18(15-25-11-12-27)14-22-23(16)26-24(28-22)21-10-6-9-20(17(21)2)19-7-4-3-5-8-19/h3-10,13-14,25,27H,11-12,15H2,1-2H3.
What are the key properties of 2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol?
2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol has a molecular weight of 388.54 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol is sourced from PubChem (CID 129137930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).