phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone

C16H17NO2S — CID 79928543

IUPACphenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone
SMILESCC1(C)OC(C)(C)c2sc(C(=O)c3ccccc3)nc21
InChIInChI=1S/C16H17NO2S/c1-15(2)12-13(16(3,4)19-15)20-14(17-12)11(18)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyKHXFESAJFHGWKG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.87
Rot. Bonds2

About phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone

phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone (PubChem CID 79928543) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone
PubChem CID79928543
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Namephenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone
SMILESCC1(C)OC(C)(C)c2sc(C(=O)c3ccccc3)nc21
InChIInChI=1S/C16H17NO2S/c1-15(2)12-13(16(3,4)19-15)20-14(17-12)11(18)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyKHXFESAJFHGWKG-UHFFFAOYSA-N
XLogP3.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 91901639
(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone
CID 83393015
[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63524211
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891
diphenylmethanone;ethane
CID 158014879
[4-[[(2S)-2-methyl-5,5-diphenyloxolan-2-yl]methyl]phenyl]-phenylmethanone
CID 122370322
(5-benzoylthiophen-2-yl)-phenylmethanone;boranuide
CID 158491316
diphenylmethanone
CID 3102
[4-(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 55201038
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone?
The IUPAC name of phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone (CID 79928543) is phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone.
What is the SMILES notation for phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone?
The canonical SMILES for phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone is CC1(C)OC(C)(C)c2sc(C(=O)c3ccccc3)nc21.
What is the InChIKey of phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone?
The InChIKey is KHXFESAJFHGWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-15(2)12-13(16(3,4)19-15)20-14(17-12)11(18)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone?
phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone has a molecular weight of 287.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)methanone is sourced from PubChem (CID 79928543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).