4-(thiatriazol-5-yl)-1,3-oxazole

C4H2N4OS — CID 54566276

IUPAC4-(thiatriazol-5-yl)-1,3-oxazole
SMILESc1nc(-c2nnns2)co1
InChIInChI=1S/C4H2N4OS/c1-3(5-2-9-1)4-6-7-8-10-4/h1-2H
InChIKeyTYEQAKDVAXMQPQ-UHFFFAOYSA-N
MW154.15 g/mol
LogP0.59
Rot. Bonds1

About 4-(thiatriazol-5-yl)-1,3-oxazole

4-(thiatriazol-5-yl)-1,3-oxazole (PubChem CID 54566276) has the molecular formula C4H2N4OS and a molecular weight of 154.15 g/mol. Its IUPAC name is 4-(thiatriazol-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(thiatriazol-5-yl)-1,3-oxazole
PubChem CID54566276
Molecular FormulaC4H2N4OS
Molecular Weight154.15 g/mol
Exact Mass153.99
IUPAC Name4-(thiatriazol-5-yl)-1,3-oxazole
SMILESc1nc(-c2nnns2)co1
InChIInChI=1S/C4H2N4OS/c1-3(5-2-9-1)4-6-7-8-10-4/h1-2H
InChIKeyTYEQAKDVAXMQPQ-UHFFFAOYSA-N
XLogP0.59
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(thiatriazol-5-yl)-1,3-oxazole?
The IUPAC name of 4-(thiatriazol-5-yl)-1,3-oxazole (CID 54566276) is 4-(thiatriazol-5-yl)-1,3-oxazole.
What is the SMILES notation for 4-(thiatriazol-5-yl)-1,3-oxazole?
The canonical SMILES for 4-(thiatriazol-5-yl)-1,3-oxazole is c1nc(-c2nnns2)co1.
What is the InChIKey of 4-(thiatriazol-5-yl)-1,3-oxazole?
The InChIKey is TYEQAKDVAXMQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4OS/c1-3(5-2-9-1)4-6-7-8-10-4/h1-2H.
What are the key properties of 4-(thiatriazol-5-yl)-1,3-oxazole?
4-(thiatriazol-5-yl)-1,3-oxazole has a molecular weight of 154.15 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiatriazol-5-yl)-1,3-oxazole is sourced from PubChem (CID 54566276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).