1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine

C8H11N5S — CID 130979812

IUPAC1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(Cn2cncn2)s1
InChIInChI=1S/C8H11N5S/c1-6(9)7-2-11-8(14-7)3-13-5-10-4-12-13/h2,4-6H,3,9H2,1H3
InChIKeyPOWUDWKTSRRPAH-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.80
Rot. Bonds3

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

1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 130979812) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID130979812
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(Cn2cncn2)s1
InChIInChI=1S/C8H11N5S/c1-6(9)7-2-11-8(14-7)3-13-5-10-4-12-13/h2,4-6H,3,9H2,1H3
InChIKeyPOWUDWKTSRRPAH-UHFFFAOYSA-N
XLogP0.80
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62693439
1-[2-(3-methylbutyl)-1,3-thiazol-5-yl]ethanamine
CID 62653547
1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 62653543
[5-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764015
(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
CID 96955798
[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
CID 80729759
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62830366
1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamine
CID 54927768
1-[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62653171
1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 130949962
1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 131008296
1-[(2-propan-2-ylcycloheptyl)methyl]-1,2,4-triazole
CID 59088664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 130979812) is 1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(Cn2cncn2)s1.
What is the InChIKey of 1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is POWUDWKTSRRPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-6(9)7-2-11-8(14-7)3-13-5-10-4-12-13/h2,4-6H,3,9H2,1H3.
What are the key properties of 1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 209.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 130979812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).