6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol

C6H5FN2S2 — CID 143803770

IUPAC6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol
SMILESCc1cn2c(S)c(F)nc2s1
InChIInChI=1S/C6H5FN2S2/c1-3-2-9-5(10)4(7)8-6(9)11-3/h2,10H,1H3
InChIKeyIGKMDDSVLVGHDU-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.13
Rot. Bonds

About 6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol

6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol (PubChem CID 143803770) has the molecular formula C6H5FN2S2 and a molecular weight of 188.25 g/mol. Its IUPAC name is 6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol.

Molecular Properties

Compound Name6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol
PubChem CID143803770
Molecular FormulaC6H5FN2S2
Molecular Weight188.25 g/mol
Exact Mass187.99
IUPAC Name6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol
SMILESCc1cn2c(S)c(F)nc2s1
InChIInChI=1S/C6H5FN2S2/c1-3-2-9-5(10)4(7)8-6(9)11-3/h2,10H,1H3
InChIKeyIGKMDDSVLVGHDU-UHFFFAOYSA-N
XLogP2.13
TPSA17.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol?
The IUPAC name of 6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol (CID 143803770) is 6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol.
What is the SMILES notation for 6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol?
The canonical SMILES for 6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol is Cc1cn2c(S)c(F)nc2s1.
What is the InChIKey of 6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol?
The InChIKey is IGKMDDSVLVGHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2S2/c1-3-2-9-5(10)4(7)8-6(9)11-3/h2,10H,1H3.
What are the key properties of 6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol?
6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol has a molecular weight of 188.25 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylimidazo[2,1-b][1,3]thiazole-5-thiol is sourced from PubChem (CID 143803770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).