N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide

C17H15FN2O4S2 — CID 75526136

IUPACN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide
SMILESCc1cc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3F)n2)c(C)o1
InChIInChI=1S/C17H15FN2O4S2/c1-9-6-12(10(2)24-9)15-8-25-17(19-15)20-16(21)13-7-11(26(3,22)23)4-5-14(13)18/h4-8H,1-3H3,(H,19,20,21)
InChIKeyKTPKTVYZMYPDEW-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.81
Rot. Bonds4

About N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide (PubChem CID 75526136) has the molecular formula C17H15FN2O4S2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide
PubChem CID75526136
Molecular FormulaC17H15FN2O4S2
Molecular Weight394.45 g/mol
Exact Mass394.05
IUPAC NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide
SMILESCc1cc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3F)n2)c(C)o1
InChIInChI=1S/C17H15FN2O4S2/c1-9-6-12(10(2)24-9)15-8-25-17(19-15)20-16(21)13-7-11(26(3,22)23)4-5-14(13)18/h4-8H,1-3H3,(H,19,20,21)
InChIKeyKTPKTVYZMYPDEW-UHFFFAOYSA-N
XLogP3.81
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 55922780
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]acetamide
CID 47066446
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066659
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362533
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 52713593
2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 32623146
[2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 16518185
(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119300524
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55921614
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide?
The IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide (CID 75526136) is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide is Cc1cc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3F)n2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide?
The InChIKey is KTPKTVYZMYPDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S2/c1-9-6-12(10(2)24-9)15-8-25-17(19-15)20-16(21)13-7-11(26(3,22)23)4-5-14(13)18/h4-8H,1-3H3,(H,19,20,21).
What are the key properties of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide?
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide has a molecular weight of 394.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide is sourced from PubChem (CID 75526136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).