N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C18H14FN7OS2 — CID 4871470

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1F)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C18H14FN7OS2/c19-12-3-1-2-4-13(12)26-18(22-23-24-26)28-10-16(27)21-11-5-6-15-14(9-11)25-8-7-20-17(25)29-15/h1-6,9H,7-8,10H2,(H,21,27)
InChIKeyXEFSVFLNHYVOJY-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.81
Rot. Bonds5

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 4871470) has the molecular formula C18H14FN7OS2 and a molecular weight of 427.49 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID4871470
Molecular FormulaC18H14FN7OS2
Molecular Weight427.49 g/mol
Exact Mass427.07
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1F)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C18H14FN7OS2/c19-12-3-1-2-4-13(12)26-18(22-23-24-26)28-10-16(27)21-11-5-6-15-14(9-11)25-8-7-20-17(25)29-15/h1-6,9H,7-8,10H2,(H,21,27)
InChIKeyXEFSVFLNHYVOJY-UHFFFAOYSA-N
XLogP2.81
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
CID 4158103
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5074698
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
CID 17385955
N-(3-fluoro-4-methylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5141094
ethyl 2-[[2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 1440796
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4544058
N-(4-hydroxy-3-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5234701
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
ethyl 2-[[2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3150992
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-phenylacetamide
CID 2265468
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 4871470) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1F)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is XEFSVFLNHYVOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7OS2/c19-12-3-1-2-4-13(12)26-18(22-23-24-26)28-10-16(27)21-11-5-6-15-14(9-11)25-8-7-20-17(25)29-15/h1-6,9H,7-8,10H2,(H,21,27).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 427.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 4871470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).