1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

C15H16N4OS — CID 104579745

IUPAC1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1cnc(C(C)NCc2csc(-c3ccccn3)n2)o1
InChIInChI=1S/C15H16N4OS/c1-10-7-18-14(20-10)11(2)17-8-12-9-21-15(19-12)13-5-3-4-6-16-13/h3-7,9,11,17H,8H2,1-2H3
InChIKeyRTEUSNBUOGBBAN-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.35
Rot. Bonds5

About 1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 104579745) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID104579745
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1cnc(C(C)NCc2csc(-c3ccccn3)n2)o1
InChIInChI=1S/C15H16N4OS/c1-10-7-18-14(20-10)11(2)17-8-12-9-21-15(19-12)13-5-3-4-6-16-13/h3-7,9,11,17H,8H2,1-2H3
InChIKeyRTEUSNBUOGBBAN-UHFFFAOYSA-N
XLogP3.35
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 104579745) is 1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1cnc(C(C)NCc2csc(-c3ccccn3)n2)o1.
What is the InChIKey of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is RTEUSNBUOGBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-7-18-14(20-10)11(2)17-8-12-9-21-15(19-12)13-5-3-4-6-16-13/h3-7,9,11,17H,8H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 300.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-oxazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 104579745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).