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

C6H2ClFN2S2 — CID 170901684

IUPAC4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESFc1cnc(Cl)c2[nH]c(=S)sc12
InChIInChI=1S/C6H2ClFN2S2/c7-5-3-4(2(8)1-9-5)12-6(11)10-3/h1H,(H,10,11)
InChIKeyXUSSLDRXJNMTQW-UHFFFAOYSA-N
MW220.68 g/mol
LogP3.15
Rot. Bonds

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

4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (PubChem CID 170901684) has the molecular formula C6H2ClFN2S2 and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
PubChem CID170901684
Molecular FormulaC6H2ClFN2S2
Molecular Weight220.68 g/mol
Exact Mass219.93
IUPAC Name4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
SMILESFc1cnc(Cl)c2[nH]c(=S)sc12
InChIInChI=1S/C6H2ClFN2S2/c7-5-3-4(2(8)1-9-5)12-6(11)10-3/h1H,(H,10,11)
InChIKeyXUSSLDRXJNMTQW-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The IUPAC name of 4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione (CID 170901684) is 4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The canonical SMILES for 4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is Fc1cnc(Cl)c2[nH]c(=S)sc12.
What is the InChIKey of 4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
The InChIKey is XUSSLDRXJNMTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClFN2S2/c7-5-3-4(2(8)1-9-5)12-6(11)10-3/h1H,(H,10,11).
What are the key properties of 4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione?
4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione has a molecular weight of 220.68 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 170901684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).