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

C12H17N3OS — CID 78992623

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNC(C)c2c(C)noc2C)n1
InChIInChI=1S/C12H17N3OS/c1-7-6-17-11(14-7)5-13-8(2)12-9(3)15-16-10(12)4/h6,8,13H,5H2,1-4H3
InChIKeyAGQVYFHRLSXUKO-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.91
Rot. Bonds4

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 78992623) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID78992623
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNC(C)c2c(C)noc2C)n1
InChIInChI=1S/C12H17N3OS/c1-7-6-17-11(14-7)5-13-8(2)12-9(3)15-16-10(12)4/h6,8,13H,5H2,1-4H3
InChIKeyAGQVYFHRLSXUKO-UHFFFAOYSA-N
XLogP2.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 79242353
N-(1,3-benzothiazol-2-ylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79242623
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79553629
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912925
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306
(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 78992623) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1csc(CNC(C)c2c(C)noc2C)n1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is AGQVYFHRLSXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-6-17-11(14-7)5-13-8(2)12-9(3)15-16-10(12)4/h6,8,13H,5H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 251.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 78992623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).