3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole

C7H6N4S — CID 67417521

IUPAC3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole
SMILESC(=Cc1ncn[nH]1)c1ccsn1
InChIInChI=1S/C7H6N4S/c1(6-3-4-12-11-6)2-7-8-5-9-10-7/h1-5H,(H,8,9,10)
InChIKeyVXBFWGZTEGISME-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.43
Rot. Bonds2

About 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole

3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole (PubChem CID 67417521) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole.

Molecular Properties

Compound Name3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole
PubChem CID67417521
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole
SMILESC(=Cc1ncn[nH]1)c1ccsn1
InChIInChI=1S/C7H6N4S/c1(6-3-4-12-11-6)2-7-8-5-9-10-7/h1-5H,(H,8,9,10)
InChIKeyVXBFWGZTEGISME-UHFFFAOYSA-N
XLogP1.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
CID 67416716
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole
CID 67416642
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
5-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
CID 67417679
3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol
CID 169452814
5-ethenyl-1H-1,2,4-triazole
CID 19004185
4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole
CID 67415796
3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-imine
CID 163955742
5-(4-bromophenyl)-1H-1,2,4-triazole
CID 46948734
5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 118564355
1H-1,2,4-triazol-5-amine
CID 22743754
(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine
CID 71313376

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole?
The IUPAC name of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole (CID 67417521) is 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole.
What is the SMILES notation for 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole?
The canonical SMILES for 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole is C(=Cc1ncn[nH]1)c1ccsn1.
What is the InChIKey of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole?
The InChIKey is VXBFWGZTEGISME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c1(6-3-4-12-11-6)2-7-8-5-9-10-7/h1-5H,(H,8,9,10).
What are the key properties of 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole?
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole has a molecular weight of 178.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole is sourced from PubChem (CID 67417521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).