1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol

C13H18N2O2S — CID 79818238

IUPAC1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)Cc1nc2ccccc2s1
InChIInChI=1S/C13H18N2O2S/c1-17-7-6-14-9-10(16)8-13-15-11-4-2-3-5-12(11)18-13/h2-5,10,14,16H,6-9H2,1H3
InChIKeyDHYAVMBPUYFQPQ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.44
Rot. Bonds7

About 1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol

1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 79818238) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID79818238
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)Cc1nc2ccccc2s1
InChIInChI=1S/C13H18N2O2S/c1-17-7-6-14-9-10(16)8-13-15-11-4-2-3-5-12(11)18-13/h2-5,10,14,16H,6-9H2,1H3
InChIKeyDHYAVMBPUYFQPQ-UHFFFAOYSA-N
XLogP1.44
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206383
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
1-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 79826149
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
3-(1,3-benzothiazol-2-yl)-2-hydroxypropanal
CID 79819003
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-4-methoxybutan-1-amine
CID 106242705
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770
4-(1,3-benzothiazol-2-ylmethylamino)butan-2-ol
CID 64912246

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol (CID 79818238) is 1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)Cc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is DHYAVMBPUYFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-17-7-6-14-9-10(16)8-13-15-11-4-2-3-5-12(11)18-13/h2-5,10,14,16H,6-9H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol?
1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 266.37 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 79818238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).