2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine

C10H11ClN2S2 — CID 76850259

IUPAC2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine
SMILESCCCCSc1nc2ncc(Cl)cc2s1
InChIInChI=1S/C10H11ClN2S2/c1-2-3-4-14-10-13-9-8(15-10)5-7(11)6-12-9/h5-6H,2-4H2,1H3
InChIKeyINXRWNQQTJJCAS-UHFFFAOYSA-N
MW258.80 g/mol
LogP4.24
Rot. Bonds4

About 2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine

2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850259) has the molecular formula C10H11ClN2S2 and a molecular weight of 258.80 g/mol. Its IUPAC name is 2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850259
Molecular FormulaC10H11ClN2S2
Molecular Weight258.80 g/mol
Exact Mass258.01
IUPAC Name2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine
SMILESCCCCSc1nc2ncc(Cl)cc2s1
InChIInChI=1S/C10H11ClN2S2/c1-2-3-4-14-10-13-9-8(15-10)5-7(11)6-12-9/h5-6H,2-4H2,1H3
InChIKeyINXRWNQQTJJCAS-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine (CID 76850259) is 2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine is CCCCSc1nc2ncc(Cl)cc2s1.
What is the InChIKey of 2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is INXRWNQQTJJCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S2/c1-2-3-4-14-10-13-9-8(15-10)5-7(11)6-12-9/h5-6H,2-4H2,1H3.
What are the key properties of 2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine?
2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 258.80 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).