1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine

C14H16N4OS — CID 106369466

IUPAC1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1cnc(CNC(c2cccs2)c2nccn2C)o1
InChIInChI=1S/C14H16N4OS/c1-10-8-16-12(19-10)9-17-13(11-4-3-7-20-11)14-15-5-6-18(14)2/h3-8,13,17H,9H2,1-2H3
InChIKeyQIDJNOKZLSKUJG-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.66
Rot. Bonds5

About 1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine

1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 106369466) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID106369466
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1cnc(CNC(c2cccs2)c2nccn2C)o1
InChIInChI=1S/C14H16N4OS/c1-10-8-16-12(19-10)9-17-13(11-4-3-7-20-11)14-15-5-6-18(14)2/h3-8,13,17H,9H2,1-2H3
InChIKeyQIDJNOKZLSKUJG-UHFFFAOYSA-N
XLogP2.66
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine (CID 106369466) is 1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1cnc(CNC(c2cccs2)c2nccn2C)o1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is QIDJNOKZLSKUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-8-16-12(19-10)9-17-13(11-4-3-7-20-11)14-15-5-6-18(14)2/h3-8,13,17H,9H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 288.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 106369466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).