4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine

C9H6N6OS — CID 113329157

IUPAC4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc(-c3ccncn3)no2)cs1
InChIInChI=1S/C9H6N6OS/c10-9-13-6(3-17-9)8-14-7(15-16-8)5-1-2-11-4-12-5/h1-4H,(H2,10,13)
InChIKeySQCVEIXCQAFJNQ-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.23
Rot. Bonds2

About 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine

4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 113329157) has the molecular formula C9H6N6OS and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID113329157
Molecular FormulaC9H6N6OS
Molecular Weight246.26 g/mol
Exact Mass246.03
IUPAC Name4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc(-c3ccncn3)no2)cs1
InChIInChI=1S/C9H6N6OS/c10-9-13-6(3-17-9)8-14-7(15-16-8)5-1-2-11-4-12-5/h1-4H,(H2,10,13)
InChIKeySQCVEIXCQAFJNQ-UHFFFAOYSA-N
XLogP1.23
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine (CID 113329157) is 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine is Nc1nc(-c2nc(-c3ccncn3)no2)cs1.
What is the InChIKey of 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is SQCVEIXCQAFJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6OS/c10-9-13-6(3-17-9)8-14-7(15-16-8)5-1-2-11-4-12-5/h1-4H,(H2,10,13).
What are the key properties of 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine?
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 246.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 113329157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).