2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole

C8H8N2S2 — CID 166959186

IUPAC2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole
SMILESCSc1cccn1-c1nccs1
InChIInChI=1S/C8H8N2S2/c1-11-7-3-2-5-10(7)8-9-4-6-12-8/h2-6H,1H3
InChIKeyMYHBNQOXCUPTNK-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.66
Rot. Bonds2

About 2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole

2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole (PubChem CID 166959186) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole
PubChem CID166959186
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole
SMILESCSc1cccn1-c1nccs1
InChIInChI=1S/C8H8N2S2/c1-11-7-3-2-5-10(7)8-9-4-6-12-8/h2-6H,1H3
InChIKeyMYHBNQOXCUPTNK-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole (CID 166959186) is 2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole is CSc1cccn1-c1nccs1.
What is the InChIKey of 2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole?
The InChIKey is MYHBNQOXCUPTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-11-7-3-2-5-10(7)8-9-4-6-12-8/h2-6H,1H3.
What are the key properties of 2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole?
2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole has a molecular weight of 196.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpyrrol-1-yl)-1,3-thiazole is sourced from PubChem (CID 166959186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).