cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine

C14H18N2OS — CID 106323063

IUPACcis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine
SMILESCCOc1ccc2nc([C@@H]3CC[C@H](N)C3)sc2c1
InChIInChI=1S/C14H18N2OS/c1-2-17-11-5-6-12-13(8-11)18-14(16-12)9-3-4-10(15)7-9/h5-6,8-10H,2-4,7,15H2,1H3/t9-,10+/m1/s1
InChIKeyJUEBWIZJKJHQAZ-ZJUUUORDSA-N
MW262.38 g/mol
LogP3.29
Rot. Bonds3

About cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine (PubChem CID 106323063) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine
PubChem CID106323063
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Namecis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine
SMILESCCOc1ccc2nc([C@@H]3CC[C@H](N)C3)sc2c1
InChIInChI=1S/C14H18N2OS/c1-2-17-11-5-6-12-13(8-11)18-14(16-12)9-3-4-10(15)7-9/h5-6,8-10H,2-4,7,15H2,1H3/t9-,10+/m1/s1
InChIKeyJUEBWIZJKJHQAZ-ZJUUUORDSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 79518771
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593
1-(6-ethoxy-1,3-benzothiazol-2-yl)azetidine-3-thiol
CID 142660167
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763167
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
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine (CID 106323063) is cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine is CCOc1ccc2nc([C@@H]3CC[C@H](N)C3)sc2c1.
What is the InChIKey of cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The InChIKey is JUEBWIZJKJHQAZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-17-11-5-6-12-13(8-11)18-14(16-12)9-3-4-10(15)7-9/h5-6,8-10H,2-4,7,15H2,1H3/t9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 106323063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).