2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine

C7H9N5S — CID 112643460

IUPAC2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
SMILESNC(Cc1cncs1)c1cn[nH]n1
InChIInChI=1S/C7H9N5S/c8-6(7-3-10-12-11-7)1-5-2-9-4-13-5/h2-4,6H,1,8H2,(H,10,11,12)
InChIKeyUKRMOJQPFDEGFL-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.50
Rot. Bonds3

About 2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine

2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine (PubChem CID 112643460) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
PubChem CID112643460
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
SMILESNC(Cc1cncs1)c1cn[nH]n1
InChIInChI=1S/C7H9N5S/c8-6(7-3-10-12-11-7)1-5-2-9-4-13-5/h2-4,6H,1,8H2,(H,10,11,12)
InChIKeyUKRMOJQPFDEGFL-UHFFFAOYSA-N
XLogP0.50
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030337
1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 130521644
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
1-(4-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177899
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131042710
1-cyclopentyl-2-(1,3-thiazol-5-yl)ethanamine
CID 82399288
1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131031441
1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030712
1-(2-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112642679

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine?
The IUPAC name of 2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine (CID 112643460) is 2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine is NC(Cc1cncs1)c1cn[nH]n1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine?
The InChIKey is UKRMOJQPFDEGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c8-6(7-3-10-12-11-7)1-5-2-9-4-13-5/h2-4,6H,1,8H2,(H,10,11,12).
What are the key properties of 2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine?
2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine has a molecular weight of 195.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine is sourced from PubChem (CID 112643460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).