6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione

C7H6N2S2 — CID 18984449

IUPAC6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESCc1cc2sc(=S)[nH]c2cn1
InChIInChI=1S/C7H6N2S2/c1-4-2-6-5(3-8-4)9-7(10)11-6/h2-3H,1H3,(H,9,10)
InChIKeyUOZXUOCZLLUEIY-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.66
Rot. Bonds

About 6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione

6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (PubChem CID 18984449) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
PubChem CID18984449
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESCc1cc2sc(=S)[nH]c2cn1
InChIInChI=1S/C7H6N2S2/c1-4-2-6-5(3-8-4)9-7(10)11-6/h2-3H,1H3,(H,9,10)
InChIKeyUOZXUOCZLLUEIY-UHFFFAOYSA-N
XLogP2.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1,3]Thiazolo[5,4-b]pyridine-2-thiol
CID 2782239
Benzothiazole, 2,3-dihydro-2-methyl-2-(2-pyridinyl)-
CID 3006727
4-(Methylsulfanyl)pyridin-3-amine
CID 15656137
5-(Methylthio)-3-pyridinamine
CID 22245062
6-Chloro-(1,3)thiazolo(4,5-c)pyridine-2-thiol
CID 58579707
2-Pyridinecarbothioamide, 4-(ethylthio)-
CID 3001425
2-Pyridinecarbothioamide, 4-(propylthio)-
CID 3001426
2-Pyridinecarbothioamide, 4-(butylthio)-
CID 3001427
2-Pyridinecarbothioamide, 4-((1,1-dimethylethyl)thio)-
CID 3001429
2-Pyridinecarbothioamide, 4-((1-methylpropyl)thio)-
CID 3001430
4-Thiocarbamoylmethylthiopyridine-2-carbothioamide
CID 3002240
2-ethyl-2-(2-pyridyl)-3H-1,3-benzothiazole
CID 3006728

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The IUPAC name of 6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (CID 18984449) is 6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The canonical SMILES for 6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is Cc1cc2sc(=S)[nH]c2cn1.
What is the InChIKey of 6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The InChIKey is UOZXUOCZLLUEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c1-4-2-6-5(3-8-4)9-7(10)11-6/h2-3H,1H3,(H,9,10).
What are the key properties of 6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione has a molecular weight of 182.27 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 18984449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).