3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole

C14H13N3S3 — CID 10663447

IUPAC3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole
SMILESc1cncc(-c2nsnc2SCCCc2cccs2)c1
InChIInChI=1S/C14H13N3S3/c1-4-11(10-15-7-1)13-14(17-20-16-13)19-9-3-6-12-5-2-8-18-12/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyLQKYMUZNUCKYKD-UHFFFAOYSA-N
MW319.48 g/mol
LogP4.39
Rot. Bonds6

About 3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole

3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole (PubChem CID 10663447) has the molecular formula C14H13N3S3 and a molecular weight of 319.48 g/mol. Its IUPAC name is 3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole
PubChem CID10663447
Molecular FormulaC14H13N3S3
Molecular Weight319.48 g/mol
Exact Mass319.03
IUPAC Name3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole
SMILESc1cncc(-c2nsnc2SCCCc2cccs2)c1
InChIInChI=1S/C14H13N3S3/c1-4-11(10-15-7-1)13-14(17-20-16-13)19-9-3-6-12-5-2-8-18-12/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyLQKYMUZNUCKYKD-UHFFFAOYSA-N
XLogP4.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole?
The IUPAC name of 3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole (CID 10663447) is 3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole?
The canonical SMILES for 3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole is c1cncc(-c2nsnc2SCCCc2cccs2)c1.
What is the InChIKey of 3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole?
The InChIKey is LQKYMUZNUCKYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S3/c1-4-11(10-15-7-1)13-14(17-20-16-13)19-9-3-6-12-5-2-8-18-12/h1-2,4-5,7-8,10H,3,6,9H2.
What are the key properties of 3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole?
3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole has a molecular weight of 319.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole is sourced from PubChem (CID 10663447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).