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

C18H10F4N2O3S — CID 56848444

IUPACN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)s1)OC(F)(F)O2
InChIInChI=1S/C18H10F4N2O3S/c1-8-5-12-13(27-18(21,22)26-12)6-9(8)14-7-23-17(28-14)24-16(25)15-10(19)3-2-4-11(15)20/h2-7H,1H3,(H,23,24,25)
InChIKeyFLYXKMPTLQKZJQ-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.97
Rot. Bonds3

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

N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (PubChem CID 56848444) has the molecular formula C18H10F4N2O3S and a molecular weight of 410.35 g/mol. Its IUPAC name is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
PubChem CID56848444
Molecular FormulaC18H10F4N2O3S
Molecular Weight410.35 g/mol
Exact Mass410.03
IUPAC NameN-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SMILESCc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)s1)OC(F)(F)O2
InChIInChI=1S/C18H10F4N2O3S/c1-8-5-12-13(27-18(21,22)26-12)6-9(8)14-7-23-17(28-14)24-16(25)15-10(19)3-2-4-11(15)20/h2-7H,1H3,(H,23,24,25)
InChIKeyFLYXKMPTLQKZJQ-UHFFFAOYSA-N
XLogP4.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.97
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]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
N-(5-(3,4-difluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272625
N-(5-(3-fluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45273509
1-[5-(2,2-Difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907695

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]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide (CID 56848444) is N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide is Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)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]-2,6-difluorobenzamide?
The InChIKey is FLYXKMPTLQKZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N2O3S/c1-8-5-12-13(27-18(21,22)26-12)6-9(8)14-7-23-17(28-14)24-16(25)15-10(19)3-2-4-11(15)20/h2-7H,1H3,(H,23,24,25).
What are the key properties of N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide?
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide has a molecular weight of 410.35 g/mol, XLogP of 4.97, 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]-2,6-difluorobenzamide is sourced from PubChem (CID 56848444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).