1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

C11H15N5OS — CID 80620915

IUPAC1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(C3CCCCS3)no2)c1
InChIInChI=1S/C11H15N5OS/c12-8-5-13-16(6-8)7-10-14-11(15-17-10)9-3-1-2-4-18-9/h5-6,9H,1-4,7,12H2
InChIKeyRQVCGXMSWVHITH-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.85
Rot. Bonds3

About 1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 80620915) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID80620915
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(C3CCCCS3)no2)c1
InChIInChI=1S/C11H15N5OS/c12-8-5-13-16(6-8)7-10-14-11(15-17-10)9-3-1-2-4-18-9/h5-6,9H,1-4,7,12H2
InChIKeyRQVCGXMSWVHITH-UHFFFAOYSA-N
XLogP1.85
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 80620915) is 1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is Nc1cnn(Cc2nc(C3CCCCS3)no2)c1.
What is the InChIKey of 1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is RQVCGXMSWVHITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c12-8-5-13-16(6-8)7-10-14-11(15-17-10)9-3-1-2-4-18-9/h5-6,9H,1-4,7,12H2.
What are the key properties of 1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 265.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 80620915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).