2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine

C12H16N2OS — CID 82190222

IUPAC2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine
SMILESCCCc1nc2c(OCCN)cccc2s1
InChIInChI=1S/C12H16N2OS/c1-2-4-11-14-12-9(15-8-7-13)5-3-6-10(12)16-11/h3,5-6H,2,4,7-8,13H2,1H3
InChIKeyDDMAYPXLRSSPIR-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.59
Rot. Bonds5

About 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine

2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine (PubChem CID 82190222) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine
PubChem CID82190222
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine
SMILESCCCc1nc2c(OCCN)cccc2s1
InChIInChI=1S/C12H16N2OS/c1-2-4-11-14-12-9(15-8-7-13)5-3-6-10(12)16-11/h3,5-6H,2,4,7-8,13H2,1H3
InChIKeyDDMAYPXLRSSPIR-UHFFFAOYSA-N
XLogP2.59
TPSA48.14 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190296
4-[[2-(2,2-dimethylpropyl)-1,3-benzothiazol-4-yl]oxy]butan-1-amine
CID 82190317
2-propyl-1,3-benzothiazol-4-ol
CID 82190216
3-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propan-1-amine
CID 82190183
2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole
CID 82190228
2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190401
4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190245
2-pentyl-1,3-benzothiazol-4-amine
CID 69228766
3-[[2-(2-methylpropyl)-1,3-benzothiazol-4-yl]oxy]propanoic acid
CID 82190277
(4-decoxy-1,3-benzothiazol-2-yl)hydrazine
CID 154476426
3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106914
4-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190331

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine?
The IUPAC name of 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine (CID 82190222) is 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine?
The canonical SMILES for 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine is CCCc1nc2c(OCCN)cccc2s1.
What is the InChIKey of 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine?
The InChIKey is DDMAYPXLRSSPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-4-11-14-12-9(15-8-7-13)5-3-6-10(12)16-11/h3,5-6H,2,4,7-8,13H2,1H3.
What are the key properties of 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine?
2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine is sourced from PubChem (CID 82190222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).