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

C12H17N3OS — CID 113428992

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2sc(C)nc2C)o1
InChIInChI=1S/C12H17N3OS/c1-7-5-14-11(16-7)6-13-8(2)12-9(3)15-10(4)17-12/h5,8,13H,6H2,1-4H3
InChIKeyJZAZGCBUILNSHS-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.91
Rot. Bonds4

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 113428992) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID113428992
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2sc(C)nc2C)o1
InChIInChI=1S/C12H17N3OS/c1-7-5-14-11(16-7)6-13-8(2)12-9(3)15-10(4)17-12/h5,8,13H,6H2,1-4H3
InChIKeyJZAZGCBUILNSHS-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-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97353561
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61060969
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 106369709
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55149649
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 106370039
N-[(5-bromofuran-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61192981
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,3-trimethylbutan-1-amine
CID 102613655
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 61059460
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine
CID 55162820

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 113428992) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1cnc(CNC(C)c2sc(C)nc2C)o1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is JZAZGCBUILNSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-5-14-11(16-7)6-13-8(2)12-9(3)15-10(4)17-12/h5,8,13H,6H2,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-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-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 113428992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).