5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline

C12H10FN3OS2 — CID 115335436

IUPAC5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline
SMILESNc1cc(F)ccc1S(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C12H10FN3OS2/c13-8-1-2-11(10(14)5-8)19(17)7-9-6-16-3-4-18-12(16)15-9/h1-6H,7,14H2
InChIKeyLCNYAVRAUUZHMS-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.42
Rot. Bonds3

About 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline

5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline (PubChem CID 115335436) has the molecular formula C12H10FN3OS2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline
PubChem CID115335436
Molecular FormulaC12H10FN3OS2
Molecular Weight295.36 g/mol
Exact Mass295.02
IUPAC Name5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline
SMILESNc1cc(F)ccc1S(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C12H10FN3OS2/c13-8-1-2-11(10(14)5-8)19(17)7-9-6-16-3-4-18-12(16)15-9/h1-6H,7,14H2
InChIKeyLCNYAVRAUUZHMS-UHFFFAOYSA-N
XLogP2.42
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline
CID 115335456
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylaniline
CID 115335454
2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
CID 113288753
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)-2-methylpropan-1-amine
CID 115335482
1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115333102
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine
CID 115335464
2-[(5-bromo-2-pyridinyl)methylsulfinyl]-5-fluoroaniline
CID 104814029
[1-(5-fluoro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105211512
5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile
CID 82016728
5-fluoro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2,3-dione
CID 78943007
5-fluoro-2-[(5-fluoro-2-methylphenyl)methylsulfinyl]aniline
CID 105376341
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 9266743

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline?
The IUPAC name of 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline (CID 115335436) is 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline.
What is the SMILES notation for 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline?
The canonical SMILES for 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline is Nc1cc(F)ccc1S(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline?
The InChIKey is LCNYAVRAUUZHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS2/c13-8-1-2-11(10(14)5-8)19(17)7-9-6-16-3-4-18-12(16)15-9/h1-6H,7,14H2.
What are the key properties of 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline?
5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline has a molecular weight of 295.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline is sourced from PubChem (CID 115335436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).