2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C18H14F2N4O2S2 — CID 33245642

IUPAC2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nc4ccccc4n3C(F)F)sc2c1
InChIInChI=1S/C18H14F2N4O2S2/c1-26-10-6-7-12-14(8-10)28-17(21-12)23-15(25)9-27-18-22-11-4-2-3-5-13(11)24(18)16(19)20/h2-8,16H,9H2,1H3,(H,21,23,25)
InChIKeyXLNWYCBUYDGPRS-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.78
Rot. Bonds6

About 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 33245642) has the molecular formula C18H14F2N4O2S2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID33245642
Molecular FormulaC18H14F2N4O2S2
Molecular Weight420.47 g/mol
Exact Mass420.05
IUPAC Name2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nc4ccccc4n3C(F)F)sc2c1
InChIInChI=1S/C18H14F2N4O2S2/c1-26-10-6-7-12-14(8-10)28-17(21-12)23-15(25)9-27-18-22-11-4-2-3-5-13(11)24(18)16(19)20/h2-8,16H,9H2,1H3,(H,21,23,25)
InChIKeyXLNWYCBUYDGPRS-UHFFFAOYSA-N
XLogP4.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1238182
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9325587
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone
CID 39006163
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 23931404
N-(1,3-benzothiazol-2-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1414676
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 33245985
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 5017044
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655324
3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 11953106
N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 23095842
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 33245642) is 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)CSc3nc4ccccc4n3C(F)F)sc2c1.
What is the InChIKey of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XLNWYCBUYDGPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2S2/c1-26-10-6-7-12-14(8-10)28-17(21-12)23-15(25)9-27-18-22-11-4-2-3-5-13(11)24(18)16(19)20/h2-8,16H,9H2,1H3,(H,21,23,25).
What are the key properties of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 420.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 33245642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).