5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole

C10H14N4S — CID 139378772

IUPAC5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole
SMILESCn1nc(-c2ncns2)cc1C(C)(C)C
InChIInChI=1S/C10H14N4S/c1-10(2,3)8-5-7(13-14(8)4)9-11-6-12-15-9/h5-6H,1-4H3
InChIKeyMAJALNYDEVYHAW-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.24
Rot. Bonds1

About 5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole

5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole (PubChem CID 139378772) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole
PubChem CID139378772
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole
SMILESCn1nc(-c2ncns2)cc1C(C)(C)C
InChIInChI=1S/C10H14N4S/c1-10(2,3)8-5-7(13-14(8)4)9-11-6-12-15-9/h5-6H,1-4H3
InChIKeyMAJALNYDEVYHAW-UHFFFAOYSA-N
XLogP2.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole (CID 139378772) is 5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole is Cn1nc(-c2ncns2)cc1C(C)(C)C.
What is the InChIKey of 5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole?
The InChIKey is MAJALNYDEVYHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-10(2,3)8-5-7(13-14(8)4)9-11-6-12-15-9/h5-6H,1-4H3.
What are the key properties of 5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole?
5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole has a molecular weight of 222.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-1-methylpyrazol-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 139378772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).