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

C14H16N2OS — CID 79221623

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCc1cc(CNCC2CSc3ccccc32)on1
InChIInChI=1S/C14H16N2OS/c1-10-6-12(17-16-10)8-15-7-11-9-18-14-5-3-2-4-13(11)14/h2-6,11,15H,7-9H2,1H3
InChIKeyOXMGJWHTSIEXFV-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.96
Rot. Bonds4

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

1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 79221623) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID79221623
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCc1cc(CNCC2CSc3ccccc32)on1
InChIInChI=1S/C14H16N2OS/c1-10-6-12(17-16-10)8-15-7-11-9-18-14-5-3-2-4-13(11)14/h2-6,11,15H,7-9H2,1H3
InChIKeyOXMGJWHTSIEXFV-UHFFFAOYSA-N
XLogP2.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine (CID 79221623) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is Cc1cc(CNCC2CSc3ccccc32)on1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is OXMGJWHTSIEXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-6-12(17-16-10)8-15-7-11-9-18-14-5-3-2-4-13(11)14/h2-6,11,15H,7-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 260.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 79221623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).