5-methyl-4-(2-methylpentyl)thiadiazole

C9H16N2S — CID 123679919

IUPAC5-methyl-4-(2-methylpentyl)thiadiazole
SMILESCCCC(C)Cc1nnsc1C
InChIInChI=1S/C9H16N2S/c1-4-5-7(2)6-9-8(3)12-11-10-9/h7H,4-6H2,1-3H3
InChIKeyJRBFEPCJIGKDSP-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.83
Rot. Bonds4

About 5-methyl-4-(2-methylpentyl)thiadiazole

5-methyl-4-(2-methylpentyl)thiadiazole (PubChem CID 123679919) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpentyl)thiadiazole.

Molecular Properties

Compound Name5-methyl-4-(2-methylpentyl)thiadiazole
PubChem CID123679919
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name5-methyl-4-(2-methylpentyl)thiadiazole
SMILESCCCC(C)Cc1nnsc1C
InChIInChI=1S/C9H16N2S/c1-4-5-7(2)6-9-8(3)12-11-10-9/h7H,4-6H2,1-3H3
InChIKeyJRBFEPCJIGKDSP-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpentyl)thiadiazole?
The IUPAC name of 5-methyl-4-(2-methylpentyl)thiadiazole (CID 123679919) is 5-methyl-4-(2-methylpentyl)thiadiazole.
What is the SMILES notation for 5-methyl-4-(2-methylpentyl)thiadiazole?
The canonical SMILES for 5-methyl-4-(2-methylpentyl)thiadiazole is CCCC(C)Cc1nnsc1C.
What is the InChIKey of 5-methyl-4-(2-methylpentyl)thiadiazole?
The InChIKey is JRBFEPCJIGKDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-5-7(2)6-9-8(3)12-11-10-9/h7H,4-6H2,1-3H3.
What are the key properties of 5-methyl-4-(2-methylpentyl)thiadiazole?
5-methyl-4-(2-methylpentyl)thiadiazole has a molecular weight of 184.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpentyl)thiadiazole is sourced from PubChem (CID 123679919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).