3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione

C9H8N2S2 — CID 136731838

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione
SMILESCc1csc(-c2ccc[nH]c2=S)n1
InChIInChI=1S/C9H8N2S2/c1-6-5-13-9(11-6)7-3-2-4-10-8(7)12/h2-5H,1H3,(H,10,12)
InChIKeyUIBZDHLZAPZBKL-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.18
Rot. Bonds1

About 3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione

3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione (PubChem CID 136731838) has the molecular formula C9H8N2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione
PubChem CID136731838
Molecular FormulaC9H8N2S2
Molecular Weight208.31 g/mol
Exact Mass208.01
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione
SMILESCc1csc(-c2ccc[nH]c2=S)n1
InChIInChI=1S/C9H8N2S2/c1-6-5-13-9(11-6)7-3-2-4-10-8(7)12/h2-5H,1H3,(H,10,12)
InChIKeyUIBZDHLZAPZBKL-UHFFFAOYSA-N
XLogP3.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione (CID 136731838) is 3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione is Cc1csc(-c2ccc[nH]c2=S)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione?
The InChIKey is UIBZDHLZAPZBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S2/c1-6-5-13-9(11-6)7-3-2-4-10-8(7)12/h2-5H,1H3,(H,10,12).
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione?
3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione has a molecular weight of 208.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-1H-pyridine-2-thione is sourced from PubChem (CID 136731838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).