1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine

C14H14N2S2 — CID 55108350

IUPAC1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2csc3ccccc23)s1
InChIInChI=1S/C14H14N2S2/c1-9(15-2)13-7-16-14(18-13)11-8-17-12-6-4-3-5-10(11)12/h3-9,15H,1-2H3
InChIKeyVGGNCKBSCVSNMI-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.31
Rot. Bonds3

About 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 55108350) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID55108350
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2csc3ccccc23)s1
InChIInChI=1S/C14H14N2S2/c1-9(15-2)13-7-16-14(18-13)11-8-17-12-6-4-3-5-10(11)12/h3-9,15H,1-2H3
InChIKeyVGGNCKBSCVSNMI-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 55108350) is 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(-c2csc3ccccc23)s1.
What is the InChIKey of 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is VGGNCKBSCVSNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-9(15-2)13-7-16-14(18-13)11-8-17-12-6-4-3-5-10(11)12/h3-9,15H,1-2H3.
What are the key properties of 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 274.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 55108350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).