N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide

C22H20N4O2S2 — CID 3224831

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide
SMILESCc1nc(NC(=O)CSc2nc3ccccc3n2CC(=O)c2ccccc2)sc1C
InChIInChI=1S/C22H20N4O2S2/c1-14-15(2)30-21(23-14)25-20(28)13-29-22-24-17-10-6-7-11-18(17)26(22)12-19(27)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,23,25,28)
InChIKeyFLUSMTWFDXKGNB-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.72
Rot. Bonds7

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 3224831) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID3224831
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide
SMILESCc1nc(NC(=O)CSc2nc3ccccc3n2CC(=O)c2ccccc2)sc1C
InChIInChI=1S/C22H20N4O2S2/c1-14-15(2)30-21(23-14)25-20(28)13-29-22-24-17-10-6-7-11-18(17)26(22)12-19(27)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,23,25,28)
InChIKeyFLUSMTWFDXKGNB-UHFFFAOYSA-N
XLogP4.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 3224832
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 51151024
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17460925
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 653360
2-[1-[2-(methylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 43310650
2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 3224836
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 43817397
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 7309454
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 112794428
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6495758
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6495834

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide (CID 3224831) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide is Cc1nc(NC(=O)CSc2nc3ccccc3n2CC(=O)c2ccccc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is FLUSMTWFDXKGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-14-15(2)30-21(23-14)25-20(28)13-29-22-24-17-10-6-7-11-18(17)26(22)12-19(27)16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,23,25,28).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 436.56 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 3224831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).