2-pyridin-2-ylsulfanyl-1,3-thiazole

C8H6N2S2 — CID 15637338

IUPAC2-pyridin-2-ylsulfanyl-1,3-thiazole
SMILESc1ccc(Sc2nccs2)nc1
InChIInChI=1S/C8H6N2S2/c1-2-4-9-7(3-1)12-8-10-5-6-11-8/h1-6H
InChIKeyFVBVZXCORWDPJH-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.69
Rot. Bonds2

About 2-pyridin-2-ylsulfanyl-1,3-thiazole

2-pyridin-2-ylsulfanyl-1,3-thiazole (PubChem CID 15637338) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-1,3-thiazole
PubChem CID15637338
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name2-pyridin-2-ylsulfanyl-1,3-thiazole
SMILESc1ccc(Sc2nccs2)nc1
InChIInChI=1S/C8H6N2S2/c1-2-4-9-7(3-1)12-8-10-5-6-11-8/h1-6H
InChIKeyFVBVZXCORWDPJH-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanyl-1,3-thiazole?
The IUPAC name of 2-pyridin-2-ylsulfanyl-1,3-thiazole (CID 15637338) is 2-pyridin-2-ylsulfanyl-1,3-thiazole.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-1,3-thiazole?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-1,3-thiazole is c1ccc(Sc2nccs2)nc1.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-1,3-thiazole?
The InChIKey is FVBVZXCORWDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S2/c1-2-4-9-7(3-1)12-8-10-5-6-11-8/h1-6H.
What are the key properties of 2-pyridin-2-ylsulfanyl-1,3-thiazole?
2-pyridin-2-ylsulfanyl-1,3-thiazole has a molecular weight of 194.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-1,3-thiazole is sourced from PubChem (CID 15637338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).