4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine

C19H19N3S3 — CID 130317964

IUPAC4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine
SMILESCCCCCCc1ncc(-c2ccc(-c3cccs3)s2)c2nnsc12
InChIInChI=1S/C19H19N3S3/c1-2-3-4-5-7-14-19-18(21-22-25-19)13(12-20-14)15-9-10-17(24-15)16-8-6-11-23-16/h6,8-12H,2-5,7H2,1H3
InChIKeyVRPOKAMTXBGCOQ-UHFFFAOYSA-N
MW385.58 g/mol
LogP6.67
Rot. Bonds7

About 4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine

4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine (PubChem CID 130317964) has the molecular formula C19H19N3S3 and a molecular weight of 385.58 g/mol. Its IUPAC name is 4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine
PubChem CID130317964
Molecular FormulaC19H19N3S3
Molecular Weight385.58 g/mol
Exact Mass385.07
IUPAC Name4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine
SMILESCCCCCCc1ncc(-c2ccc(-c3cccs3)s2)c2nnsc12
InChIInChI=1S/C19H19N3S3/c1-2-3-4-5-7-14-19-18(21-22-25-19)13(12-20-14)15-9-10-17(24-15)16-8-6-11-23-16/h6,8-12H,2-5,7H2,1H3
InChIKeyVRPOKAMTXBGCOQ-UHFFFAOYSA-N
XLogP6.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.58
LogP ≤ 56.67
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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Related Compounds

dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
US10377753, Example 130
CID 124175977
7-(4-Methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)thieno[3,2-b]pyridine
CID 71544373
US20230339900, Example 118
CID 162760816
2-Phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145985931
4-Methyl-2-phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145986186
6-Thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-amine
CID 90467784
3-(4-Methylpiperazin-1-yl)-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
CID 117807197
Dithieno[3,2-b:3,2-d]pyridine
CID 901710
7-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]thieno[3,2-b]pyridine
CID 164631889
US20230339900, Example 132
CID 162761084

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine?
The IUPAC name of 4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine (CID 130317964) is 4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine.
What is the SMILES notation for 4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine?
The canonical SMILES for 4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine is CCCCCCc1ncc(-c2ccc(-c3cccs3)s2)c2nnsc12.
What is the InChIKey of 4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine?
The InChIKey is VRPOKAMTXBGCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S3/c1-2-3-4-5-7-14-19-18(21-22-25-19)13(12-20-14)15-9-10-17(24-15)16-8-6-11-23-16/h6,8-12H,2-5,7H2,1H3.
What are the key properties of 4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine?
4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine has a molecular weight of 385.58 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-7-(5-thiophen-2-ylthiophen-2-yl)thiadiazolo[5,4-c]pyridine is sourced from PubChem (CID 130317964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).