1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine

C14H18N2OS — CID 79518771

IUPAC1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine
SMILESCCOc1ccc2nc(C(C)(N)C3CC3)sc2c1
InChIInChI=1S/C14H18N2OS/c1-3-17-10-6-7-11-12(8-10)18-13(16-11)14(2,15)9-4-5-9/h6-9H,3-5,15H2,1-2H3
InChIKeyQFBRRZNQYCQZIG-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.28
Rot. Bonds4

About 1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine

1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 79518771) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine
PubChem CID79518771
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine
SMILESCCOc1ccc2nc(C(C)(N)C3CC3)sc2c1
InChIInChI=1S/C14H18N2OS/c1-3-17-10-6-7-11-12(8-10)18-13(16-11)14(2,15)9-4-5-9/h6-9H,3-5,15H2,1-2H3
InChIKeyQFBRRZNQYCQZIG-UHFFFAOYSA-N
XLogP3.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 106323063
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine
CID 79519137
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
1-(6-ethoxy-1,3-benzothiazol-2-yl)azetidine-3-thiol
CID 142660167
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763167
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine (CID 79518771) is 1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine is CCOc1ccc2nc(C(C)(N)C3CC3)sc2c1.
What is the InChIKey of 1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is QFBRRZNQYCQZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-17-10-6-7-11-12(8-10)18-13(16-11)14(2,15)9-4-5-9/h6-9H,3-5,15H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine?
1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 79518771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).