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

C7H8N4S — CID 20770512

IUPAC2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole
SMILESCCc1ncc(-c2cn[nH]n2)s1
InChIInChI=1S/C7H8N4S/c1-2-7-8-4-6(12-7)5-3-9-11-10-5/h3-4H,2H2,1H3,(H,9,10,11)
InChIKeyPGXLFPFYCSCQHX-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.49
Rot. Bonds2

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

2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole (PubChem CID 20770512) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole
PubChem CID20770512
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole
SMILESCCc1ncc(-c2cn[nH]n2)s1
InChIInChI=1S/C7H8N4S/c1-2-7-8-4-6(12-7)5-3-9-11-10-5/h3-4H,2H2,1H3,(H,9,10,11)
InChIKeyPGXLFPFYCSCQHX-UHFFFAOYSA-N
XLogP1.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole (CID 20770512) is 2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole is CCc1ncc(-c2cn[nH]n2)s1.
What is the InChIKey of 2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole?
The InChIKey is PGXLFPFYCSCQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-2-7-8-4-6(12-7)5-3-9-11-10-5/h3-4H,2H2,1H3,(H,9,10,11).
What are the key properties of 2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole?
2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole has a molecular weight of 180.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2H-triazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 20770512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).