5-tert-butyl-4-propylthiadiazole

C9H16N2S — CID 167374632

IUPAC5-tert-butyl-4-propylthiadiazole
SMILESCCCc1nnsc1C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-5-6-7-8(9(2,3)4)12-11-10-7/h5-6H2,1-4H3
InChIKeyPBBICOGBFSPNOU-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.79
Rot. Bonds2

About 5-tert-butyl-4-propylthiadiazole

5-tert-butyl-4-propylthiadiazole (PubChem CID 167374632) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 5-tert-butyl-4-propylthiadiazole.

Molecular Properties

Compound Name5-tert-butyl-4-propylthiadiazole
PubChem CID167374632
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name5-tert-butyl-4-propylthiadiazole
SMILESCCCc1nnsc1C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-5-6-7-8(9(2,3)4)12-11-10-7/h5-6H2,1-4H3
InChIKeyPBBICOGBFSPNOU-UHFFFAOYSA-N
XLogP2.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-4-propylthiadiazole 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 5-tert-butyl-4-propylthiadiazole?
The IUPAC name of 5-tert-butyl-4-propylthiadiazole (CID 167374632) is 5-tert-butyl-4-propylthiadiazole.
What is the SMILES notation for 5-tert-butyl-4-propylthiadiazole?
The canonical SMILES for 5-tert-butyl-4-propylthiadiazole is CCCc1nnsc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-propylthiadiazole?
The InChIKey is PBBICOGBFSPNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-5-6-7-8(9(2,3)4)12-11-10-7/h5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-4-propylthiadiazole?
5-tert-butyl-4-propylthiadiazole has a molecular weight of 184.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-propylthiadiazole is sourced from PubChem (CID 167374632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).