4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole

C8H6N2S2 — CID 174543694

IUPAC4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole
SMILESS=S1C=NC(c2cccnc2)=C1
InChIInChI=1S/C8H6N2S2/c11-12-5-8(10-6-12)7-2-1-3-9-4-7/h1-6H
InChIKeyHGCGPEUSQNKMSN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.50
Rot. Bonds1

About 4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole

4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole (PubChem CID 174543694) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole.

Molecular Properties

Compound Name4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole
PubChem CID174543694
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole
SMILESS=S1C=NC(c2cccnc2)=C1
InChIInChI=1S/C8H6N2S2/c11-12-5-8(10-6-12)7-2-1-3-9-4-7/h1-6H
InChIKeyHGCGPEUSQNKMSN-UHFFFAOYSA-N
XLogP1.50
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole?
The IUPAC name of 4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole (CID 174543694) is 4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole.
What is the SMILES notation for 4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole?
The canonical SMILES for 4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole is S=S1C=NC(c2cccnc2)=C1.
What is the InChIKey of 4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole?
The InChIKey is HGCGPEUSQNKMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S2/c11-12-5-8(10-6-12)7-2-1-3-9-4-7/h1-6H.
What are the key properties of 4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole?
4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole has a molecular weight of 194.28 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1-sulfanylidene-1,3-thiazole is sourced from PubChem (CID 174543694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).