N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine

C14H20N2OS — CID 79873288

IUPACN-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nc2ccc(OCC)cc2s1
InChIInChI=1S/C14H20N2OS/c1-4-8-15-10(3)14-16-12-7-6-11(17-5-2)9-13(12)18-14/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyJRFIJSGURDAUAB-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.76
Rot. Bonds6

About N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine

N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine (PubChem CID 79873288) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
PubChem CID79873288
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nc2ccc(OCC)cc2s1
InChIInChI=1S/C14H20N2OS/c1-4-8-15-10(3)14-16-12-7-6-11(17-5-2)9-13(12)18-14/h6-7,9-10,15H,4-5,8H2,1-3H3
InChIKeyJRFIJSGURDAUAB-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-methyl-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79872914
N-[1-(6-chloro-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79873391
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518172
4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine
CID 113441133
2-amino-2-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518392
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 81072937
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
6-ethoxy-N-(5-methylhexan-2-yl)-1,3-benzothiazol-2-amine
CID 79518155

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine (CID 79873288) is N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine is CCCNC(C)c1nc2ccc(OCC)cc2s1.
What is the InChIKey of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is JRFIJSGURDAUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-8-15-10(3)14-16-12-7-6-11(17-5-2)9-13(12)18-14/h6-7,9-10,15H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine?
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79873288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).