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

C10H14N4S — CID 155787852

IUPAC4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole
SMILESCn1nc(-c2csnn2)cc1C(C)(C)C
InChIInChI=1S/C10H14N4S/c1-10(2,3)9-5-7(12-14(9)4)8-6-15-13-11-8/h5-6H,1-4H3
InChIKeyIOBYZFVTXHBTOD-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.24
Rot. Bonds1

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

4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole (PubChem CID 155787852) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole.

Molecular Properties

Compound Name4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole
PubChem CID155787852
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole
SMILESCn1nc(-c2csnn2)cc1C(C)(C)C
InChIInChI=1S/C10H14N4S/c1-10(2,3)9-5-7(12-14(9)4)8-6-15-13-11-8/h5-6H,1-4H3
InChIKeyIOBYZFVTXHBTOD-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

Analyze 4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole?
The IUPAC name of 4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole (CID 155787852) is 4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole.
What is the SMILES notation for 4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole?
The canonical SMILES for 4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole is Cn1nc(-c2csnn2)cc1C(C)(C)C.
What is the InChIKey of 4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole?
The InChIKey is IOBYZFVTXHBTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-10(2,3)9-5-7(12-14(9)4)8-6-15-13-11-8/h5-6H,1-4H3.
What are the key properties of 4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole?
4-(5-tert-butyl-1-methylpyrazol-3-yl)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 4-(5-tert-butyl-1-methylpyrazol-3-yl)thiadiazole is sourced from PubChem (CID 155787852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).