5-tert-butyl-4-propan-2-ylthiadiazole

C9H16N2S — CID 67889932

IUPAC5-tert-butyl-4-propan-2-ylthiadiazole
SMILESCC(C)c1nnsc1C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-6(2)7-8(9(3,4)5)12-11-10-7/h6H,1-5H3
InChIKeyNUPCSQSQKPNIGV-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.96
Rot. Bonds1

About 5-tert-butyl-4-propan-2-ylthiadiazole

5-tert-butyl-4-propan-2-ylthiadiazole (PubChem CID 67889932) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 5-tert-butyl-4-propan-2-ylthiadiazole.

Molecular Properties

Compound Name5-tert-butyl-4-propan-2-ylthiadiazole
PubChem CID67889932
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name5-tert-butyl-4-propan-2-ylthiadiazole
SMILESCC(C)c1nnsc1C(C)(C)C
InChIInChI=1S/C9H16N2S/c1-6(2)7-8(9(3,4)5)12-11-10-7/h6H,1-5H3
InChIKeyNUPCSQSQKPNIGV-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-propan-2-ylthiadiazole?
The IUPAC name of 5-tert-butyl-4-propan-2-ylthiadiazole (CID 67889932) is 5-tert-butyl-4-propan-2-ylthiadiazole.
What is the SMILES notation for 5-tert-butyl-4-propan-2-ylthiadiazole?
The canonical SMILES for 5-tert-butyl-4-propan-2-ylthiadiazole is CC(C)c1nnsc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-propan-2-ylthiadiazole?
The InChIKey is NUPCSQSQKPNIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6(2)7-8(9(3,4)5)12-11-10-7/h6H,1-5H3.
What are the key properties of 5-tert-butyl-4-propan-2-ylthiadiazole?
5-tert-butyl-4-propan-2-ylthiadiazole has a molecular weight of 184.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-propan-2-ylthiadiazole is sourced from PubChem (CID 67889932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).