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

C7H8N4S — CID 115394689

IUPAC4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESCCn1cnnc1-c1cscn1
InChIInChI=1S/C7H8N4S/c1-2-11-4-9-10-7(11)6-3-12-5-8-6/h3-5H,2H2,1H3
InChIKeyPVBUNDJTFKKWHA-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.42
Rot. Bonds2

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

4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole (PubChem CID 115394689) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole
PubChem CID115394689
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESCCn1cnnc1-c1cscn1
InChIInChI=1S/C7H8N4S/c1-2-11-4-9-10-7(11)6-3-12-5-8-6/h3-5H,2H2,1H3
InChIKeyPVBUNDJTFKKWHA-UHFFFAOYSA-N
XLogP1.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 115395542
4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole
CID 115394758
5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole
CID 115394795
3-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazole
CID 115394687
4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole
CID 69250902
3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 115394797
4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
CID 115394639
3-bromo-4-(4-ethyl-1,2,4-triazol-3-yl)pyridine
CID 130933848
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 32579219
3-(4-ethyl-1,2,4-triazol-3-yl)-5-methylpyridine
CID 115394647
3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole
CID 82819204
3-(3-bromo-4-fluorophenyl)-4-ethyl-1,2,4-triazole
CID 107954691

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole (CID 115394689) is 4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole is CCn1cnnc1-c1cscn1.
What is the InChIKey of 4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The InChIKey is PVBUNDJTFKKWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-2-11-4-9-10-7(11)6-3-12-5-8-6/h3-5H,2H2,1H3.
What are the key properties of 4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole?
4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole has a molecular weight of 180.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 115394689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).