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

C8H11N5S — CID 130567402

IUPAC1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cnnn1Cc1cncs1
InChIInChI=1S/C8H11N5S/c1-6(9)8-3-11-12-13(8)4-7-2-10-5-14-7/h2-3,5-6H,4,9H2,1H3
InChIKeySXBVWZAGWOHWMK-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.80
Rot. Bonds3

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

1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine (PubChem CID 130567402) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine
PubChem CID130567402
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cnnn1Cc1cncs1
InChIInChI=1S/C8H11N5S/c1-6(9)8-3-11-12-13(8)4-7-2-10-5-14-7/h2-3,5-6H,4,9H2,1H3
InChIKeySXBVWZAGWOHWMK-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-(3-propyltriazol-4-yl)ethanamine
CID 114687009
2-methylpropyl 5-methyl-1-(1,3-thiazol-5-ylmethyl)triazole-4-carboxylate
CID 103113207
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
CID 114688710
5-(tetrazol-2-ylmethyl)-1,3-thiazole
CID 91546748
(1S)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151701
(1R)-1-(1,3-thiazol-5-yl)ethanamine
CID 42151698
2-(1,3-thiazol-5-ylmethylsulfinyl)propanoic acid
CID 112643655
5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
CID 103221517
3-(1,3-thiazol-5-ylmethylsulfanyl)butan-1-amine
CID 112640847
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine (CID 130567402) is 1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine is CC(N)c1cnnn1Cc1cncs1.
What is the InChIKey of 1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine?
The InChIKey is SXBVWZAGWOHWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-6(9)8-3-11-12-13(8)4-7-2-10-5-14-7/h2-3,5-6H,4,9H2,1H3.
What are the key properties of 1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine?
1-[3-(1,3-thiazol-5-ylmethyl)triazol-4-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-[3-(1,3-thiazol-5-ylmethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 130567402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).