1-(2,1-benzothiazol-3-yl)propan-2-amine

C10H12N2S — CID 66354687

IUPAC1-(2,1-benzothiazol-3-yl)propan-2-amine
SMILESCC(N)Cc1snc2ccccc12
InChIInChI=1S/C10H12N2S/c1-7(11)6-10-8-4-2-3-5-9(8)12-13-10/h2-5,7H,6,11H2,1H3
InChIKeyMZTCEFVACSOUOY-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.19
Rot. Bonds2

About 1-(2,1-benzothiazol-3-yl)propan-2-amine

1-(2,1-benzothiazol-3-yl)propan-2-amine (PubChem CID 66354687) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-(2,1-benzothiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,1-benzothiazol-3-yl)propan-2-amine
PubChem CID66354687
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-(2,1-benzothiazol-3-yl)propan-2-amine
SMILESCC(N)Cc1snc2ccccc12
InChIInChI=1S/C10H12N2S/c1-7(11)6-10-8-4-2-3-5-9(8)12-13-10/h2-5,7H,6,11H2,1H3
InChIKeyMZTCEFVACSOUOY-UHFFFAOYSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1-benzothiazol-3-yl)propan-2-amine?
The IUPAC name of 1-(2,1-benzothiazol-3-yl)propan-2-amine (CID 66354687) is 1-(2,1-benzothiazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2,1-benzothiazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(2,1-benzothiazol-3-yl)propan-2-amine is CC(N)Cc1snc2ccccc12.
What is the InChIKey of 1-(2,1-benzothiazol-3-yl)propan-2-amine?
The InChIKey is MZTCEFVACSOUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7(11)6-10-8-4-2-3-5-9(8)12-13-10/h2-5,7H,6,11H2,1H3.
What are the key properties of 1-(2,1-benzothiazol-3-yl)propan-2-amine?
1-(2,1-benzothiazol-3-yl)propan-2-amine has a molecular weight of 192.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1-benzothiazol-3-yl)propan-2-amine is sourced from PubChem (CID 66354687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).