2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole

C11H13N7S — CID 72895797

IUPAC2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole
SMILESCCn1cnnc1CCn1cc(-c2nccs2)nn1
InChIInChI=1S/C11H13N7S/c1-2-17-8-13-15-10(17)3-5-18-7-9(14-16-18)11-12-4-6-19-11/h4,6-8H,2-3,5H2,1H3
InChIKeyVHDBONKQAZIGPI-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.26
Rot. Bonds5

About 2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole

2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole (PubChem CID 72895797) has the molecular formula C11H13N7S and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole
PubChem CID72895797
Molecular FormulaC11H13N7S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole
SMILESCCn1cnnc1CCn1cc(-c2nccs2)nn1
InChIInChI=1S/C11H13N7S/c1-2-17-8-13-15-10(17)3-5-18-7-9(14-16-18)11-12-4-6-19-11/h4,6-8H,2-3,5H2,1H3
InChIKeyVHDBONKQAZIGPI-UHFFFAOYSA-N
XLogP1.26
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67257996
4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53567549
4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53570292
6-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 53595705
5-{2-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1,3,4-thiadiazol-2-amine
CID 72849825
1-{2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}-4-(1,3-thiazol-2-yl)-1H-1,2,3-triazole
CID 72851721
5-{3-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]propyl}-1,3,4-thiadiazol-2-amine
CID 72862499
2-[[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 97467469
2-[[3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 97471190
1-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)-1H-1,2,3-triazole
CID 72866046
2-[(2S)-2-(4-chloropyrazol-1-yl)propyl]-4-(1-methylimidazol-2-yl)-1,3-thiazole
CID 125536903
2-[(4-Methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
CID 133383561

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole (CID 72895797) is 2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole is CCn1cnnc1CCn1cc(-c2nccs2)nn1.
What is the InChIKey of 2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole?
The InChIKey is VHDBONKQAZIGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7S/c1-2-17-8-13-15-10(17)3-5-18-7-9(14-16-18)11-12-4-6-19-11/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole?
2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole has a molecular weight of 275.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 72895797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).