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

C10H13N3OS — CID 65183488

IUPACN-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCNCCc1ncc(-c2scnc2C)o1
InChIInChI=1S/C10H13N3OS/c1-7-10(15-6-13-7)8-5-12-9(14-8)3-4-11-2/h5-6,11H,3-4H2,1-2H3
InChIKeyVCOIMUKWGWUCTJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.87
Rot. Bonds4

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

N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65183488) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65183488
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCNCCc1ncc(-c2scnc2C)o1
InChIInChI=1S/C10H13N3OS/c1-7-10(15-6-13-7)8-5-12-9(14-8)3-4-11-2/h5-6,11H,3-4H2,1-2H3
InChIKeyVCOIMUKWGWUCTJ-UHFFFAOYSA-N
XLogP1.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine (CID 65183488) is N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine is CNCCc1ncc(-c2scnc2C)o1.
What is the InChIKey of N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is VCOIMUKWGWUCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-10(15-6-13-7)8-5-12-9(14-8)3-4-11-2/h5-6,11H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 223.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65183488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).