5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine

C15H24N4OS — CID 78961443

IUPAC5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC(C)c2c(C)noc2C)s1
InChIInChI=1S/C15H24N4OS/c1-6-19(7-2)15-17-9-13(21-15)8-16-10(3)14-11(4)18-20-12(14)5/h9-10,16H,6-8H2,1-5H3
InChIKeyJQQILCNWCAPQMZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.44
Rot. Bonds7

About 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine

5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 78961443) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID78961443
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNC(C)c2c(C)noc2C)s1
InChIInChI=1S/C15H24N4OS/c1-6-19(7-2)15-17-9-13(21-15)8-16-10(3)14-11(4)18-20-12(14)5/h9-10,16H,6-8H2,1-5H3
InChIKeyJQQILCNWCAPQMZ-UHFFFAOYSA-N
XLogP3.44
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 78961443) is 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNC(C)c2c(C)noc2C)s1.
What is the InChIKey of 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is JQQILCNWCAPQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-6-19(7-2)15-17-9-13(21-15)8-16-10(3)14-11(4)18-20-12(14)5/h9-10,16H,6-8H2,1-5H3.
What are the key properties of 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 308.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78961443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).