1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine

C19H18N2OS2 — CID 26318871

IUPAC1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCc1oc(-c2ccsc2)nc1CN(C)Cc1cc2ccccc2s1
InChIInChI=1S/C19H18N2OS2/c1-13-17(20-19(22-13)15-7-8-23-12-15)11-21(2)10-16-9-14-5-3-4-6-18(14)24-16/h3-9,12H,10-11H2,1-2H3
InChIKeyJABYFOFURQIDQL-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.56
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine

1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine (PubChem CID 26318871) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine
PubChem CID26318871
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC Name1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCc1oc(-c2ccsc2)nc1CN(C)Cc1cc2ccccc2s1
InChIInChI=1S/C19H18N2OS2/c1-13-17(20-19(22-13)15-7-8-23-12-15)11-21(2)10-16-9-14-5-3-4-6-18(14)24-16/h3-9,12H,10-11H2,1-2H3
InChIKeyJABYFOFURQIDQL-UHFFFAOYSA-N
XLogP5.56
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine (CID 26318871) is 1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine is Cc1oc(-c2ccsc2)nc1CN(C)Cc1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine?
The InChIKey is JABYFOFURQIDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS2/c1-13-17(20-19(22-13)15-7-8-23-12-15)11-21(2)10-16-9-14-5-3-4-6-18(14)24-16/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine?
1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine has a molecular weight of 354.50 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 26318871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).