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

C8H7ClN2S2 — CID 153382972

IUPAC6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine
SMILESCCSc1nc2cnc(Cl)cc2s1
InChIInChI=1S/C8H7ClN2S2/c1-2-12-8-11-5-4-10-7(9)3-6(5)13-8/h3-4H,2H2,1H3
InChIKeyLRBRQMYPUDWRFW-UHFFFAOYSA-N
MW230.75 g/mol
LogP3.46
Rot. Bonds2

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

6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 153382972) has the molecular formula C8H7ClN2S2 and a molecular weight of 230.75 g/mol. Its IUPAC name is 6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine
PubChem CID153382972
Molecular FormulaC8H7ClN2S2
Molecular Weight230.75 g/mol
Exact Mass229.97
IUPAC Name6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine
SMILESCCSc1nc2cnc(Cl)cc2s1
InChIInChI=1S/C8H7ClN2S2/c1-2-12-8-11-5-4-10-7(9)3-6(5)13-8/h3-4H,2H2,1H3
InChIKeyLRBRQMYPUDWRFW-UHFFFAOYSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.75
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanyl-6-methyl-1,3-benzothiazole
CID 119093087
6-bromo-2-ethylsulfanyl-[1,3]thiazolo[5,4-b]pyridine
CID 117097307
2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682315
6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole
CID 19806340
N-(4-chloro-2-fluorophenyl)-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682266
2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3-benzothiazole
CID 103054998
(1S,2S,6R,7R)-4-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 1379559
N-cyclohexyl-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682357
2-ethylsulfanyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 142682269
N-[2-(3-chlorophenyl)ethyl]-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682318
2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine
CID 76850259
N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 937848

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine (CID 153382972) is 6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine is CCSc1nc2cnc(Cl)cc2s1.
What is the InChIKey of 6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is LRBRQMYPUDWRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S2/c1-2-12-8-11-5-4-10-7(9)3-6(5)13-8/h3-4H,2H2,1H3.
What are the key properties of 6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine?
6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 230.75 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 153382972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).