2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride

C16H17ClN2OS — CID 22284169

IUPAC2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(O)c1nc2ccccc2s1
InChIInChI=1S/C16H16N2OS.ClH/c17-12(10-11-6-2-1-3-7-11)15(19)16-18-13-8-4-5-9-14(13)20-16;/h1-9,12,15,19H,10,17H2;1H
InChIKeyRFQWXPUXFXWOJG-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.32
Rot. Bonds4

About 2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride

2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride (PubChem CID 22284169) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride
PubChem CID22284169
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride
SMILESCl.NC(Cc1ccccc1)C(O)c1nc2ccccc2s1
InChIInChI=1S/C16H16N2OS.ClH/c17-12(10-11-6-2-1-3-7-11)15(19)16-18-13-8-4-5-9-14(13)20-16;/h1-9,12,15,19H,10,17H2;1H
InChIKeyRFQWXPUXFXWOJG-UHFFFAOYSA-N
XLogP3.32
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-benzyl-2,3-dihydroxypropanamide
CID 110879660
1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethanamine
CID 43314644
(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 70041725
1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524719
(1S,2R)-1-(1,3-benzothiazol-2-yl)-2-methylbut-3-en-1-ol
CID 10856987
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2R,3R)-3-(1,3-benzothiazol-2-yl)butan-2-ol
CID 95030552
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952
2-(1,3-benzothiazol-2-yl)butanebis(thioic S-acid);phenylmethanamine
CID 173357256
2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpropan-1-one
CID 3956183

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride (CID 22284169) is 2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride is Cl.NC(Cc1ccccc1)C(O)c1nc2ccccc2s1.
What is the InChIKey of 2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride?
The InChIKey is RFQWXPUXFXWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS.ClH/c17-12(10-11-6-2-1-3-7-11)15(19)16-18-13-8-4-5-9-14(13)20-16;/h1-9,12,15,19H,10,17H2;1H.
What are the key properties of 2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride?
2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride has a molecular weight of 320.85 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-benzothiazol-2-yl)-3-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 22284169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).