5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole

C8H10N4S — CID 115394795

IUPAC5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole
SMILESCCn1cnnc1-c1scnc1C
InChIInChI=1S/C8H10N4S/c1-3-12-4-10-11-8(12)7-6(2)9-5-13-7/h4-5H,3H2,1-2H3
InChIKeyHAXRERFYKOGSID-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.73
Rot. Bonds2

About 5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole

5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole (PubChem CID 115394795) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole
PubChem CID115394795
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole
SMILESCCn1cnnc1-c1scnc1C
InChIInChI=1S/C8H10N4S/c1-3-12-4-10-11-8(12)7-6(2)9-5-13-7/h4-5H,3H2,1-2H3
InChIKeyHAXRERFYKOGSID-UHFFFAOYSA-N
XLogP1.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole (CID 115394795) is 5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole is CCn1cnnc1-c1scnc1C.
What is the InChIKey of 5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole?
The InChIKey is HAXRERFYKOGSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-3-12-4-10-11-8(12)7-6(2)9-5-13-7/h4-5H,3H2,1-2H3.
What are the key properties of 5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole?
5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole has a molecular weight of 194.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 115394795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).