2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole

C10H15FN2S — CID 59463959

IUPAC2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCN1Cc2sc(C(C)(C)C)nc2C1F
InChIInChI=1S/C10H15FN2S/c1-10(2,3)9-12-7-6(14-9)5-13(4)8(7)11/h8H,5H2,1-4H3
InChIKeyNGMAFXCZFGBDOI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.85
Rot. Bonds

About 2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole

2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (PubChem CID 59463959) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
PubChem CID59463959
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCN1Cc2sc(C(C)(C)C)nc2C1F
InChIInChI=1S/C10H15FN2S/c1-10(2,3)9-12-7-6(14-9)5-13(4)8(7)11/h8H,5H2,1-4H3
InChIKeyNGMAFXCZFGBDOI-UHFFFAOYSA-N
XLogP2.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (CID 59463959) is 2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is CN1Cc2sc(C(C)(C)C)nc2C1F.
What is the InChIKey of 2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The InChIKey is NGMAFXCZFGBDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-10(2,3)9-12-7-6(14-9)5-13(4)8(7)11/h8H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole has a molecular weight of 214.31 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-fluoro-5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 59463959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).