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

C5H4N4S — CID 119084105

IUPAC4-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1nc(-c2cn[nH]n2)cs1
InChIInChI=1S/C5H4N4S/c1-4(8-9-7-1)5-2-10-3-6-5/h1-3H,(H,7,8,9)
InChIKeyHSWYXPGZYQGDRJ-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.93
Rot. Bonds1

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

4-(2H-triazol-4-yl)-1,3-thiazole (PubChem CID 119084105) has the molecular formula C5H4N4S and a molecular weight of 152.18 g/mol. Its IUPAC name is 4-(2H-triazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2H-triazol-4-yl)-1,3-thiazole
PubChem CID119084105
Molecular FormulaC5H4N4S
Molecular Weight152.18 g/mol
Exact Mass152.02
IUPAC Name4-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1nc(-c2cn[nH]n2)cs1
InChIInChI=1S/C5H4N4S/c1-4(8-9-7-1)5-2-10-3-6-5/h1-3H,(H,7,8,9)
InChIKeyHSWYXPGZYQGDRJ-UHFFFAOYSA-N
XLogP0.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-(2H-triazol-4-yl)-1,3-thiazole (CID 119084105) is 4-(2H-triazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2H-triazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(2H-triazol-4-yl)-1,3-thiazole is c1nc(-c2cn[nH]n2)cs1.
What is the InChIKey of 4-(2H-triazol-4-yl)-1,3-thiazole?
The InChIKey is HSWYXPGZYQGDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S/c1-4(8-9-7-1)5-2-10-3-6-5/h1-3H,(H,7,8,9).
What are the key properties of 4-(2H-triazol-4-yl)-1,3-thiazole?
4-(2H-triazol-4-yl)-1,3-thiazole has a molecular weight of 152.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 119084105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).