2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole

C12H8N2S2 — CID 2348844

IUPAC2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
SMILESc1cncc(-c2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C12H8N2S2/c1-3-9(7-13-5-1)12-14-10(8-16-12)11-4-2-6-15-11/h1-8H
InChIKeyMQPPHGXKPCJSBY-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.93
Rot. Bonds2

About 2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole

2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole (PubChem CID 2348844) has the molecular formula C12H8N2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
PubChem CID2348844
Molecular FormulaC12H8N2S2
Molecular Weight244.34 g/mol
Exact Mass244.01
IUPAC Name2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
SMILESc1cncc(-c2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C12H8N2S2/c1-3-9(7-13-5-1)12-14-10(8-16-12)11-4-2-6-15-11/h1-8H
InChIKeyMQPPHGXKPCJSBY-UHFFFAOYSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole (CID 2348844) is 2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole is c1cncc(-c2nc(-c3cccs3)cs2)c1.
What is the InChIKey of 2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is MQPPHGXKPCJSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S2/c1-3-9(7-13-5-1)12-14-10(8-16-12)11-4-2-6-15-11/h1-8H.
What are the key properties of 2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole?
2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 244.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2348844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).