2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole

C11H14N2S2 — CID 70520238

IUPAC2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESCCCCCc1nnc(-c2cccs2)s1
InChIInChI=1S/C11H14N2S2/c1-2-3-4-7-10-12-13-11(15-10)9-6-5-8-14-9/h5-6,8H,2-4,7H2,1H3
InChIKeyJVCNNDATKZLBCH-UHFFFAOYSA-N
MW238.38 g/mol
LogP4.00
Rot. Bonds5

About 2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole

2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole (PubChem CID 70520238) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole
PubChem CID70520238
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESCCCCCc1nnc(-c2cccs2)s1
InChIInChI=1S/C11H14N2S2/c1-2-3-4-7-10-12-13-11(15-10)9-6-5-8-14-9/h5-6,8H,2-4,7H2,1H3
InChIKeyJVCNNDATKZLBCH-UHFFFAOYSA-N
XLogP4.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole (CID 70520238) is 2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole is CCCCCc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The InChIKey is JVCNNDATKZLBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-2-3-4-7-10-12-13-11(15-10)9-6-5-8-14-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole?
2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole has a molecular weight of 238.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-5-thiophen-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 70520238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).