4-methyl-5-pentylthiadiazole

C8H14N2S — CID 13427196

IUPAC4-methyl-5-pentylthiadiazole
SMILESCCCCCc1snnc1C
InChIInChI=1S/C8H14N2S/c1-3-4-5-6-8-7(2)9-10-11-8/h3-6H2,1-2H3
InChIKeyUUXAEVWXBCTZKF-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.58
Rot. Bonds4

About 4-methyl-5-pentylthiadiazole

4-methyl-5-pentylthiadiazole (PubChem CID 13427196) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-methyl-5-pentylthiadiazole.

Molecular Properties

Compound Name4-methyl-5-pentylthiadiazole
PubChem CID13427196
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-methyl-5-pentylthiadiazole
SMILESCCCCCc1snnc1C
InChIInChI=1S/C8H14N2S/c1-3-4-5-6-8-7(2)9-10-11-8/h3-6H2,1-2H3
InChIKeyUUXAEVWXBCTZKF-UHFFFAOYSA-N
XLogP2.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5,6,7-Tetrahydrobenzo[d][1,2,3]thiadiazole
CID 12206278
5,6,7,8-tetrahydro-4H-cyclohepta[d]thiadiazole
CID 12206277
5-Ethyl-4-methylthiadiazole
CID 12679017
4-Methyl-5-propylthiadiazole
CID 12913685
5-(2-Chloro-2-methylpropyl)-4-methylthiadiazole
CID 134909748
4,5,6,7,8,9-Hexahydrocycloocta[d]thiadiazole
CID 12206276
4,5,6,7,8,9,10,11,12,13-Decahydrocyclododeca[d]thiadiazole
CID 12565898
4-Ethyl-5-methylthiadiazole
CID 12679016
4-Methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole
CID 20717873
2-Methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine
CID 23111159
5-Butyl-4-methylthiadiazole
CID 23383489
4,5-Di(propan-2-yl)thiadiazole
CID 59752180

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pentylthiadiazole?
The IUPAC name of 4-methyl-5-pentylthiadiazole (CID 13427196) is 4-methyl-5-pentylthiadiazole.
What is the SMILES notation for 4-methyl-5-pentylthiadiazole?
The canonical SMILES for 4-methyl-5-pentylthiadiazole is CCCCCc1snnc1C.
What is the InChIKey of 4-methyl-5-pentylthiadiazole?
The InChIKey is UUXAEVWXBCTZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-4-5-6-8-7(2)9-10-11-8/h3-6H2,1-2H3.
What are the key properties of 4-methyl-5-pentylthiadiazole?
4-methyl-5-pentylthiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pentylthiadiazole is sourced from PubChem (CID 13427196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).