N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide

C18H11F3N2O3S — CID 56848445

IUPACN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3F)s1)OC(F)(F)O2
InChIInChI=1S/C18H11F3N2O3S/c1-9-6-13-14(26-18(20,21)25-13)7-11(9)15-8-22-17(27-15)23-16(24)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,22,23,24)
InChIKeyZEUPXIISUNFGLH-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.83
Rot. Bonds3

About N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide

N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 56848445) has the molecular formula C18H11F3N2O3S and a molecular weight of 392.36 g/mol. Its IUPAC name is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID56848445
Molecular FormulaC18H11F3N2O3S
Molecular Weight392.36 g/mol
Exact Mass392.04
IUPAC NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3F)s1)OC(F)(F)O2
InChIInChI=1S/C18H11F3N2O3S/c1-9-6-13-14(26-18(20,21)25-13)7-11(9)15-8-22-17(27-15)23-16(24)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,22,23,24)
InChIKeyZEUPXIISUNFGLH-UHFFFAOYSA-N
XLogP4.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide with MolForge

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Related Compounds

3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45270685
N-(5-(3,5-difluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45270906
N-(5-(3,5-bis(trifluoromethyl)benzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272403
N-(5-(4-fluoro-3-(trifluoromethyl)benzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272620
N-(1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 669593
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 44250031
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethoxy)benzyl)thiazol-2-yl)benzamide
CID 45267479
4-(2-hydroxyethoxy)-3-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45267558
N-(5-(3-fluoro-4-methylbenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45268354
3,4-bis(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45269859
3-methoxy-4-(2-morpholinoethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45270133
N-(5-(3,4-difluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272625

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 56848445) is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3ccccc3F)s1)OC(F)(F)O2.
What is the InChIKey of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is ZEUPXIISUNFGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O3S/c1-9-6-13-14(26-18(20,21)25-13)7-11(9)15-8-22-17(27-15)23-16(24)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,22,23,24).
What are the key properties of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 392.36 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 56848445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).