1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine

C16H18N2S2 — CID 107806474

IUPAC1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc3ncsc3c2)s1
InChIInChI=1S/C16H18N2S2/c1-3-12(17-4-2)15-8-7-14(20-15)11-5-6-13-16(9-11)19-10-18-13/h5-10,12,17H,3-4H2,1-2H3
InChIKeySETINTXBHCAERR-UHFFFAOYSA-N
MW302.47 g/mol
LogP5.09
Rot. Bonds5

About 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine

1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine (PubChem CID 107806474) has the molecular formula C16H18N2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine
PubChem CID107806474
Molecular FormulaC16H18N2S2
Molecular Weight302.47 g/mol
Exact Mass302.09
IUPAC Name1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc3ncsc3c2)s1
InChIInChI=1S/C16H18N2S2/c1-3-12(17-4-2)15-8-7-14(20-15)11-5-6-13-16(9-11)19-10-18-13/h5-10,12,17H,3-4H2,1-2H3
InChIKeySETINTXBHCAERR-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine (CID 107806474) is 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(-c2ccc3ncsc3c2)s1.
What is the InChIKey of 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine?
The InChIKey is SETINTXBHCAERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S2/c1-3-12(17-4-2)15-8-7-14(20-15)11-5-6-13-16(9-11)19-10-18-13/h5-10,12,17H,3-4H2,1-2H3.
What are the key properties of 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine?
1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine has a molecular weight of 302.47 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzothiazol-6-yl)thiophen-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107806474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).