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

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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).