2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C19H14F2N4OS2 — CID 47943191

IUPAC2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(CSc2nc3cc(F)c(F)cc3[nH]2)cs1)Nc1ccccc1
InChIInChI=1S/C19H14F2N4OS2/c20-13-6-15-16(7-14(13)21)25-19(24-15)28-10-12-9-27-18(23-12)8-17(26)22-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,22,26)(H,24,25)
InChIKeyXOURNVZCIVDWPX-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.77
Rot. Bonds6

About 2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide

2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 47943191) has the molecular formula C19H14F2N4OS2 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID47943191
Molecular FormulaC19H14F2N4OS2
Molecular Weight416.48 g/mol
Exact Mass416.06
IUPAC Name2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(CSc2nc3cc(F)c(F)cc3[nH]2)cs1)Nc1ccccc1
InChIInChI=1S/C19H14F2N4OS2/c20-13-6-15-16(7-14(13)21)25-19(24-15)28-10-12-9-27-18(23-12)8-17(26)22-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,22,26)(H,24,25)
InChIKeyXOURNVZCIVDWPX-UHFFFAOYSA-N
XLogP4.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-5,6-difluoro-1H-benzimidazole
CID 52558968
2-[4-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942617
N-phenyl-2-[4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 60588659
2-[4-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 52756425
3-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 84616870
2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942946
2-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 40703655
2-[4-[[4-amino-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2662711
2-[4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942202
2-[4-[[1-(difluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 46660216
2-[(2,3-difluorophenyl)methylsulfanyl]-5,6-difluoro-1H-benzimidazole
CID 52559013
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 34375365

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 47943191) is 2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is O=C(Cc1nc(CSc2nc3cc(F)c(F)cc3[nH]2)cs1)Nc1ccccc1.
What is the InChIKey of 2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is XOURNVZCIVDWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4OS2/c20-13-6-15-16(7-14(13)21)25-19(24-15)28-10-12-9-27-18(23-12)8-17(26)22-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,22,26)(H,24,25).
What are the key properties of 2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 416.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 47943191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).