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

C5H4N4S — CID 141401341

IUPAC5-(1,2,4-triazol-1-yl)-1,3-thiazole
SMILESc1ncn(-c2cncs2)n1
InChIInChI=1S/C5H4N4S/c1-5(10-4-6-1)9-3-7-2-8-9/h1-4H
InChIKeyFDKFRLCRKAIWLU-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.72
Rot. Bonds1

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

5-(1,2,4-triazol-1-yl)-1,3-thiazole (PubChem CID 141401341) has the molecular formula C5H4N4S and a molecular weight of 152.18 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-yl)-1,3-thiazole
PubChem CID141401341
Molecular FormulaC5H4N4S
Molecular Weight152.18 g/mol
Exact Mass152.02
IUPAC Name5-(1,2,4-triazol-1-yl)-1,3-thiazole
SMILESc1ncn(-c2cncs2)n1
InChIInChI=1S/C5H4N4S/c1-5(10-4-6-1)9-3-7-2-8-9/h1-4H
InChIKeyFDKFRLCRKAIWLU-UHFFFAOYSA-N
XLogP0.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-2-(1,2,4-triazol-1-yl)pyrimidine
CID 116649073
5-methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
CID 58458813
[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium
CID 7128983
5-piperazin-1-yl-1,3-thiazole
CID 96739347
5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 168877940
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
5-(1,2,4-triazol-1-yl)pyridin-3-ol
CID 163282109
2-chloro-5-(1,2,4-triazol-1-yl)pyrazine
CID 77231195
1-[3,3,4,4-tetrafluoro-2-(1,2,4-triazol-4-yl)cyclobuten-1-yl]-1,2,4-triazole
CID 102418521
2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidine
CID 58333445
1,4-bis[4-(1,2,4-triazol-1-yl)phenyl]piperazine
CID 141429794
[4-(1,3-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 46929638

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-yl)-1,3-thiazole?
The IUPAC name of 5-(1,2,4-triazol-1-yl)-1,3-thiazole (CID 141401341) is 5-(1,2,4-triazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-(1,2,4-triazol-1-yl)-1,3-thiazole?
The canonical SMILES for 5-(1,2,4-triazol-1-yl)-1,3-thiazole is c1ncn(-c2cncs2)n1.
What is the InChIKey of 5-(1,2,4-triazol-1-yl)-1,3-thiazole?
The InChIKey is FDKFRLCRKAIWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S/c1-5(10-4-6-1)9-3-7-2-8-9/h1-4H.
What are the key properties of 5-(1,2,4-triazol-1-yl)-1,3-thiazole?
5-(1,2,4-triazol-1-yl)-1,3-thiazole has a molecular weight of 152.18 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 141401341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).