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

C6H3ClN2S2 — CID 58579707

IUPAC6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnc(Cl)cc2s1
InChIInChI=1S/C6H3ClN2S2/c7-5-1-4-3(2-8-5)9-6(10)11-4/h1-2H,(H,9,10)
InChIKeyIYZZEZJBZYCWRG-UHFFFAOYSA-N
MW202.69 g/mol
LogP3.01
Rot. Bonds

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

6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (PubChem CID 58579707) has the molecular formula C6H3ClN2S2 and a molecular weight of 202.69 g/mol. Its IUPAC name is 6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
PubChem CID58579707
Molecular FormulaC6H3ClN2S2
Molecular Weight202.69 g/mol
Exact Mass201.94
IUPAC Name6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cnc(Cl)cc2s1
InChIInChI=1S/C6H3ClN2S2/c7-5-1-4-3(2-8-5)9-6(10)11-4/h1-2H,(H,9,10)
InChIKeyIYZZEZJBZYCWRG-UHFFFAOYSA-N
XLogP3.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[1,3]Thiazolo[5,4-b]pyridine-2-thiol
CID 2782239
2,6-Dichloro-(1,3)thiazolo(4,5-c)pyridine
CID 58579638
6-chloro-1H-imidazo[4,5-c]pyridine-2(3H)-thione
CID 90041681
Thiazolo[5,4-C]pyridine-2-thiol
CID 14062658
5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione
CID 19374644
6-(trifluoromethyl)-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
CID 142339853
5-Chloro[1,3]thiazolo[5,4-b]pyridine-2(1H)-thione
CID 13799666
4-Chloro-7-fluorothiazolo[4,5-c]pyridine-2-thiol
CID 170901684
6-Chlorothiazolo[5,4-b]pyridin-2(1H)-one
CID 2747576
7-Chlorothiazolo[4,5-C]pyridine-2-thiol
CID 11849875
3-Methyl-[1,3]thiazolo[4,5-c]pyridine-2-thione
CID 14302773
Thiazolo[4,5-c]pyridine-2-thiol
CID 15222367

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The IUPAC name of 6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (CID 58579707) is 6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The canonical SMILES for 6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is S=c1[nH]c2cnc(Cl)cc2s1.
What is the InChIKey of 6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The InChIKey is IYZZEZJBZYCWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2S2/c7-5-1-4-3(2-8-5)9-6(10)11-4/h1-2H,(H,9,10).
What are the key properties of 6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione has a molecular weight of 202.69 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 58579707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).