7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol

C19H24N2O2S — CID 174665898

IUPAC7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol
SMILESCC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2c1SCN2
InChIInChI=1S/C19H24N2O2S/c1-19(2,10-13-6-4-3-5-7-13)21-11-17(23)15-8-14(22)9-16-18(15)24-12-20-16/h3-9,17,20-23H,10-12H2,1-2H3
InChIKeyAIZNJDORHQDOGR-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.51
Rot. Bonds6

About 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol

7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol (PubChem CID 174665898) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol.

Molecular Properties

Compound Name7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol
PubChem CID174665898
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol
SMILESCC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2c1SCN2
InChIInChI=1S/C19H24N2O2S/c1-19(2,10-13-6-4-3-5-7-13)21-11-17(23)15-8-14(22)9-16-18(15)24-12-20-16/h3-9,17,20-23H,10-12H2,1-2H3
InChIKeyAIZNJDORHQDOGR-UHFFFAOYSA-N
XLogP3.51
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol with MolForge

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Related Compounds

5-hydroxy-7-[(1R)-1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-3H-1,3-benzothiazol-2-one
CID 66743967
7-[2-[[1-[4-(dimethylamino)phenyl]-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-5-hydroxy-2,3-dihydro-1,3-benzothiazole-2-carbaldehyde
CID 174549146
8-[2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-6-ol
CID 150890523
CID 59347355
CID 59347355
5-[1-hydroxy-2-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]ethyl]benzene-1,3-diol;hydrobromide
CID 3084673
3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]butanoic acid
CID 114264140
4-[4-[2-[[2-hydroxy-2-(6-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]phenoxy]butanoic acid
CID 11626717
4-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2-methylsulfinylphenol
CID 13372399
5-hydroxy-7-[1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-3H-1,3-benzoxazol-2-one
CID 59017257
2-[3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[(1S)-1-phenylethyl]acetamide
CID 68841243
8-[2-[[1-(3,5-dimethylphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
CID 22063449
6-hydroxy-8-[1-hydroxy-2-[[1-(4-hydroxy-2,6-dimethylphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one;methanesulfonic acid
CID 11533341

Frequently Asked Questions

What is the IUPAC name of 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol?
The IUPAC name of 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol (CID 174665898) is 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol.
What is the SMILES notation for 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol?
The canonical SMILES for 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol is CC(C)(Cc1ccccc1)NCC(O)c1cc(O)cc2c1SCN2.
What is the InChIKey of 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol?
The InChIKey is AIZNJDORHQDOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-19(2,10-13-6-4-3-5-7-13)21-11-17(23)15-8-14(22)9-16-18(15)24-12-20-16/h3-9,17,20-23H,10-12H2,1-2H3.
What are the key properties of 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol?
7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol has a molecular weight of 344.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-2,3-dihydro-1,3-benzothiazol-5-ol is sourced from PubChem (CID 174665898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).