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

C10H12N2OS — CID 66356179

IUPAC3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol
SMILESNCC(CO)c1snc2ccccc12
InChIInChI=1S/C10H12N2OS/c11-5-7(6-13)10-8-3-1-2-4-9(8)12-14-10/h1-4,7,13H,5-6,11H2
InChIKeyYHXCXOWZHDWZHL-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.33
Rot. Bonds3

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

3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol (PubChem CID 66356179) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol
PubChem CID66356179
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol
SMILESNCC(CO)c1snc2ccccc12
InChIInChI=1S/C10H12N2OS/c11-5-7(6-13)10-8-3-1-2-4-9(8)12-14-10/h1-4,7,13H,5-6,11H2
InChIKeyYHXCXOWZHDWZHL-UHFFFAOYSA-N
XLogP1.33
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol (CID 66356179) is 3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol is NCC(CO)c1snc2ccccc12.
What is the InChIKey of 3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol?
The InChIKey is YHXCXOWZHDWZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-5-7(6-13)10-8-3-1-2-4-9(8)12-14-10/h1-4,7,13H,5-6,11H2.
What are the key properties of 3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol?
3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol has a molecular weight of 208.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,1-benzothiazol-3-yl)propan-1-ol is sourced from PubChem (CID 66356179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).