N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide

C19H16F2N4OS2 — CID 134040673

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C19H16F2N4OS2/c1-24(10-16-22-13-7-3-5-9-15(13)27-16)17(26)11-25-14-8-4-2-6-12(14)23-19(25)28-18(20)21/h2-9,18H,10-11H2,1H3
InChIKeyREMIDXAUAWCZIA-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.62
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 134040673) has the molecular formula C19H16F2N4OS2 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide
PubChem CID134040673
Molecular FormulaC19H16F2N4OS2
Molecular Weight418.49 g/mol
Exact Mass418.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C19H16F2N4OS2/c1-24(10-16-22-13-7-3-5-9-15(13)27-16)17(26)11-25-14-8-4-2-6-12(14)23-19(25)28-18(20)21/h2-9,18H,10-11H2,1H3
InChIKeyREMIDXAUAWCZIA-UHFFFAOYSA-N
XLogP4.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide 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

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26419188
2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573213
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methyl-N-[1-(3-nitrophenyl)ethyl]acetamide
CID 55408358
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238415
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 36670264
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51238043
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
methyl 3-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-(2-methylpropyl)amino]propanoate
CID 55820421
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
CID 86908094

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide (CID 134040673) is N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide is CN(Cc1nc2ccccc2s1)C(=O)Cn1c(SC(F)F)nc2ccccc21.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is REMIDXAUAWCZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4OS2/c1-24(10-16-22-13-7-3-5-9-15(13)27-16)17(26)11-25-14-8-4-2-6-12(14)23-19(25)28-18(20)21/h2-9,18H,10-11H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 418.49 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 134040673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).