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

C15H18N4OS — CID 106368617

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
SMILESCCc1cnc(CNC(c2cccs2)c2nccn2C)o1
InChIInChI=1S/C15H18N4OS/c1-3-11-9-17-13(20-11)10-18-14(12-5-4-8-21-12)15-16-6-7-19(15)2/h4-9,14,18H,3,10H2,1-2H3
InChIKeyRIASIUVATWYLQX-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.91
Rot. Bonds6

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine (PubChem CID 106368617) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
PubChem CID106368617
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
SMILESCCc1cnc(CNC(c2cccs2)c2nccn2C)o1
InChIInChI=1S/C15H18N4OS/c1-3-11-9-17-13(20-11)10-18-14(12-5-4-8-21-12)15-16-6-7-19(15)2/h4-9,14,18H,3,10H2,1-2H3
InChIKeyRIASIUVATWYLQX-UHFFFAOYSA-N
XLogP2.91
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine (CID 106368617) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine is CCc1cnc(CNC(c2cccs2)c2nccn2C)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The InChIKey is RIASIUVATWYLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-11-9-17-13(20-11)10-18-14(12-5-4-8-21-12)15-16-6-7-19(15)2/h4-9,14,18H,3,10H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine has a molecular weight of 302.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 106368617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).