1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine

C14H18N2OS — CID 82836838

IUPAC1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(CC(N)c2nc3ccccc3s2)O1
InChIInChI=1S/C14H18N2OS/c1-9-6-7-10(17-9)8-11(15)14-16-12-4-2-3-5-13(12)18-14/h2-5,9-11H,6-8,15H2,1H3
InChIKeyRHSJUBQZXKSULX-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.25
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine

1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine (PubChem CID 82836838) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
PubChem CID82836838
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(CC(N)c2nc3ccccc3s2)O1
InChIInChI=1S/C14H18N2OS/c1-9-6-7-10(17-9)8-11(15)14-16-12-4-2-3-5-13(12)18-14/h2-5,9-11H,6-8,15H2,1H3
InChIKeyRHSJUBQZXKSULX-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine
CID 82834430
1-(1,3-benzothiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 82384630
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine
CID 43314623
1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 43314618
1-(1,3-benzothiazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 24699449
2-[(5-methyloxolan-2-yl)methylsulfanyl]-1,3-benzothiazol-6-amine
CID 103137131
1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine
CID 67137210
1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethanamine
CID 43314644
1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 43314632
2-[1-[2-(1,3-benzothiazol-2-yl)propyldisulfanyl]propan-2-yl]-1,3-benzothiazole
CID 139653481
2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine
CID 80702671

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine (CID 82836838) is 1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine is CC1CCC(CC(N)c2nc3ccccc3s2)O1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is RHSJUBQZXKSULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-6-7-10(17-9)8-11(15)14-16-12-4-2-3-5-13(12)18-14/h2-5,9-11H,6-8,15H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine?
1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 82836838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).