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

C6H3ClN2S2 — CID 11849875

IUPAC7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cncc(Cl)c2s1
InChIInChI=1S/C6H3ClN2S2/c7-3-1-8-2-4-5(3)11-6(10)9-4/h1-2H,(H,9,10)
InChIKeyQLIADIWLVOLEPK-UHFFFAOYSA-N
MW202.69 g/mol
LogP3.01
Rot. Bonds

About 7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione

7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (PubChem CID 11849875) has the molecular formula C6H3ClN2S2 and a molecular weight of 202.69 g/mol. Its IUPAC name is 7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
PubChem CID11849875
Molecular FormulaC6H3ClN2S2
Molecular Weight202.69 g/mol
Exact Mass201.94
IUPAC Name7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cncc(Cl)c2s1
InChIInChI=1S/C6H3ClN2S2/c7-3-1-8-2-4-5(3)11-6(10)9-4/h1-2H,(H,9,10)
InChIKeyQLIADIWLVOLEPK-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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[1,3]Thiazolo[5,4-b]pyridine-2-thiol
CID 2782239
6-Chloro-(1,3)thiazolo(4,5-c)pyridine-2-thiol
CID 58579707
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-Bromothiazolo[4,5-c]pyridine-2-thiol
CID 11850828
Thiazolo[4,5-c]pyridine-2-thiol
CID 15222367
6-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
CID 18984449
5-ethyl-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione
CID 19374634
5-methyl-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione chloride
CID 22069054
7-methyl-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
CID 58893078

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The IUPAC name of 7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (CID 11849875) is 7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The canonical SMILES for 7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is S=c1[nH]c2cncc(Cl)c2s1.
What is the InChIKey of 7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The InChIKey is QLIADIWLVOLEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2S2/c7-3-1-8-2-4-5(3)11-6(10)9-4/h1-2H,(H,9,10).
What are the key properties of 7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
7-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 7-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 11849875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).