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

C6H4N2S2 — CID 15222367

IUPAC3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnccc2s1
InChIInChI=1S/C6H4N2S2/c9-6-8-4-3-7-2-1-5(4)10-6/h1-3H,(H,8,9)
InChIKeyWWMAXWYCUREYBE-UHFFFAOYSA-N
MW168.25 g/mol
LogP2.35
Rot. Bonds

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

3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (PubChem CID 15222367) has the molecular formula C6H4N2S2 and a molecular weight of 168.25 g/mol. Its IUPAC name is 3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
PubChem CID15222367
Molecular FormulaC6H4N2S2
Molecular Weight168.25 g/mol
Exact Mass167.98
IUPAC Name3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnccc2s1
InChIInChI=1S/C6H4N2S2/c9-6-8-4-3-7-2-1-5(4)10-6/h1-3H,(H,8,9)
InChIKeyWWMAXWYCUREYBE-UHFFFAOYSA-N
XLogP2.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 52.35
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
6-(Methylsulfanyl)pyridin-3-amine
CID 10261179
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
1H-Imidazo[4,5-C]pyridine-2(3H)-thione
CID 12610114
Thiazolo[5,4-b]pyridin-2(1H)-one
CID 13323937
Thiazolo[5,4-C]pyridine-2-thiol
CID 14062658
1,2-Dihydrothiazolo[5,4-b]pyridine
CID 17769189
1,3-Dithiolo[4,5-c]pyridine
CID 18365381
4-Ethylthio-3-pyridinamine
CID 28890556
Sodium 3-amino-4-pyridinethiolate
CID 129886005

Frequently Asked Questions

What is the IUPAC name of 3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The IUPAC name of 3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (CID 15222367) is 3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The canonical SMILES for 3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is S=c1[nH]c2cnccc2s1.
What is the InChIKey of 3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The InChIKey is WWMAXWYCUREYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S2/c9-6-8-4-3-7-2-1-5(4)10-6/h1-3H,(H,8,9).
What are the key properties of 3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
3H-[1,3]thiazolo[4,5-c]pyridine-2-thione has a molecular weight of 168.25 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 15222367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).