6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione

C7H5FN2S2 — CID 139355842

IUPAC6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione
SMILESCc1c(F)cnc2[nH]c(=S)sc12
InChIInChI=1S/C7H5FN2S2/c1-3-4(8)2-9-6-5(3)12-7(11)10-6/h2H,1H3,(H,9,10,11)
InChIKeyBRUWXRRWPLHENV-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.80
Rot. Bonds

About 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione

6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione (PubChem CID 139355842) has the molecular formula C7H5FN2S2 and a molecular weight of 200.26 g/mol. Its IUPAC name is 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione
PubChem CID139355842
Molecular FormulaC7H5FN2S2
Molecular Weight200.26 g/mol
Exact Mass199.99
IUPAC Name6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione
SMILESCc1c(F)cnc2[nH]c(=S)sc12
InChIInChI=1S/C7H5FN2S2/c1-3-4(8)2-9-6-5(3)12-7(11)10-6/h2H,1H3,(H,9,10,11)
InChIKeyBRUWXRRWPLHENV-UHFFFAOYSA-N
XLogP2.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione
CID 135319501
5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione
CID 86091773
5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione
CID 118004986
ethane;5-fluoro-2,3,4-trimethylpyridine
CID 177369282
5-bromo-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione
CID 155796522
2-bromo-5-fluoro-3,4-dimethylpyridine
CID 83485488
4,5,6,7-tetrafluoro-3H-1,3-benzothiazole-2-thione
CID 11160776
5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione
CID 130649775
4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione
CID 82161852
5-fluoro-6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 106514472
5-fluoro-2,4-dimethoxy-3-methylpyridine
CID 163252235
5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520460

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione (CID 139355842) is 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione is Cc1c(F)cnc2[nH]c(=S)sc12.
What is the InChIKey of 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione?
The InChIKey is BRUWXRRWPLHENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2S2/c1-3-4(8)2-9-6-5(3)12-7(11)10-6/h2H,1H3,(H,9,10,11).
What are the key properties of 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione?
6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione has a molecular weight of 200.26 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-3H-[1,3]thiazolo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 139355842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).