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

C12H17N3O2S — CID 62443797

IUPACN-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COCCc2scnc2C)on1
InChIInChI=1S/C12H17N3O2S/c1-9-12(18-8-14-9)3-4-16-7-11-5-10(6-13-2)15-17-11/h5,8,13H,3-4,6-7H2,1-2H3
InChIKeyDOBQBRANAPGMDZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.92
Rot. Bonds7

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

N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62443797) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62443797
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCNCc1cc(COCCc2scnc2C)on1
InChIInChI=1S/C12H17N3O2S/c1-9-12(18-8-14-9)3-4-16-7-11-5-10(6-13-2)15-17-11/h5,8,13H,3-4,6-7H2,1-2H3
InChIKeyDOBQBRANAPGMDZ-UHFFFAOYSA-N
XLogP1.92
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine (CID 62443797) is N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine is CNCc1cc(COCCc2scnc2C)on1.
What is the InChIKey of N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is DOBQBRANAPGMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-12(18-8-14-9)3-4-16-7-11-5-10(6-13-2)15-17-11/h5,8,13H,3-4,6-7H2,1-2H3.
What are the key properties of N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 267.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62443797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).