4-methyl-5-propan-2-ylsulfanylthiadiazole

C6H10N2S2 — CID 1473864

IUPAC4-methyl-5-propan-2-ylsulfanylthiadiazole
SMILESCc1nnsc1SC(C)C
InChIInChI=1S/C6H10N2S2/c1-4(2)9-6-5(3)7-8-10-6/h4H,1-3H3
InChIKeyNAQKJMUZQUCGRD-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.35
Rot. Bonds2

About 4-methyl-5-propan-2-ylsulfanylthiadiazole

4-methyl-5-propan-2-ylsulfanylthiadiazole (PubChem CID 1473864) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-methyl-5-propan-2-ylsulfanylthiadiazole.

Molecular Properties

Compound Name4-methyl-5-propan-2-ylsulfanylthiadiazole
PubChem CID1473864
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name4-methyl-5-propan-2-ylsulfanylthiadiazole
SMILESCc1nnsc1SC(C)C
InChIInChI=1S/C6H10N2S2/c1-4(2)9-6-5(3)7-8-10-6/h4H,1-3H3
InChIKeyNAQKJMUZQUCGRD-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-ylsulfanylthiadiazole?
The IUPAC name of 4-methyl-5-propan-2-ylsulfanylthiadiazole (CID 1473864) is 4-methyl-5-propan-2-ylsulfanylthiadiazole.
What is the SMILES notation for 4-methyl-5-propan-2-ylsulfanylthiadiazole?
The canonical SMILES for 4-methyl-5-propan-2-ylsulfanylthiadiazole is Cc1nnsc1SC(C)C.
What is the InChIKey of 4-methyl-5-propan-2-ylsulfanylthiadiazole?
The InChIKey is NAQKJMUZQUCGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-4(2)9-6-5(3)7-8-10-6/h4H,1-3H3.
What are the key properties of 4-methyl-5-propan-2-ylsulfanylthiadiazole?
4-methyl-5-propan-2-ylsulfanylthiadiazole has a molecular weight of 174.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-ylsulfanylthiadiazole is sourced from PubChem (CID 1473864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).