N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine

C12H16N2OS — CID 66353606

IUPACN-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine
SMILESCCOCC(C)Nc1snc2ccccc12
InChIInChI=1S/C12H16N2OS/c1-3-15-8-9(2)13-12-10-6-4-5-7-11(10)14-16-12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyHSAQQLIYAQNVPF-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.13
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine

N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine (PubChem CID 66353606) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine
PubChem CID66353606
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine
SMILESCCOCC(C)Nc1snc2ccccc12
InChIInChI=1S/C12H16N2OS/c1-3-15-8-9(2)13-12-10-6-4-5-7-11(10)14-16-12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyHSAQQLIYAQNVPF-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine (CID 66353606) is N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine is CCOCC(C)Nc1snc2ccccc12.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine?
The InChIKey is HSAQQLIYAQNVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-15-8-9(2)13-12-10-6-4-5-7-11(10)14-16-12/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine?
N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine has a molecular weight of 236.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 66353606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).