4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine

C14H20N2OS — CID 113441133

IUPAC4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine
SMILESCCOc1ccc2nc(C(C)CCCN)sc2c1
InChIInChI=1S/C14H20N2OS/c1-3-17-11-6-7-12-13(9-11)18-14(16-12)10(2)5-4-8-15/h6-7,9-10H,3-5,8,15H2,1-2H3
InChIKeySZYREODJNMKXGD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.54
Rot. Bonds6

About 4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine

4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine (PubChem CID 113441133) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine
PubChem CID113441133
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine
SMILESCCOc1ccc2nc(C(C)CCCN)sc2c1
InChIInChI=1S/C14H20N2OS/c1-3-17-11-6-7-12-13(9-11)18-14(16-12)10(2)5-4-8-15/h6-7,9-10H,3-5,8,15H2,1-2H3
InChIKeySZYREODJNMKXGD-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518172
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
2-amino-2-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518392
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79873288
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 81072937
4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine
CID 104685724
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
4-(2,5-diethoxyphenyl)pentan-1-amine
CID 83942835
N'-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-methylethane-1,2-diamine
CID 123503017
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine?
The IUPAC name of 4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine (CID 113441133) is 4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine.
What is the SMILES notation for 4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine?
The canonical SMILES for 4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine is CCOc1ccc2nc(C(C)CCCN)sc2c1.
What is the InChIKey of 4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine?
The InChIKey is SZYREODJNMKXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-17-11-6-7-12-13(9-11)18-14(16-12)10(2)5-4-8-15/h6-7,9-10H,3-5,8,15H2,1-2H3.
What are the key properties of 4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine?
4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine is sourced from PubChem (CID 113441133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).