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

C11H17N5S — CID 113387207

IUPAC1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCc1cnc(C(C)NCc2nncn2C)s1
InChIInChI=1S/C11H17N5S/c1-4-9-5-13-11(17-9)8(2)12-6-10-15-14-7-16(10)3/h5,7-8,12H,4,6H2,1-3H3
InChIKeyPRQIEEDPCJRNMR-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.68
Rot. Bonds5

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

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 113387207) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID113387207
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCc1cnc(C(C)NCc2nncn2C)s1
InChIInChI=1S/C11H17N5S/c1-4-9-5-13-11(17-9)8(2)12-6-10-15-14-7-16(10)3/h5,7-8,12H,4,6H2,1-3H3
InChIKeyPRQIEEDPCJRNMR-UHFFFAOYSA-N
XLogP1.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
N-[(3,5-dimethylphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 112696879
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438032
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115697598
1-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 106757633
(1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 96529352
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-1-amine
CID 115904938
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
N,N-dimethyl-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]aniline
CID 54895563
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 112640133
4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2,6-difluorophenol
CID 115680101

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 113387207) is 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is CCc1cnc(C(C)NCc2nncn2C)s1.
What is the InChIKey of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is PRQIEEDPCJRNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-4-9-5-13-11(17-9)8(2)12-6-10-15-14-7-16(10)3/h5,7-8,12H,4,6H2,1-3H3.
What are the key properties of 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 251.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 113387207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).