2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C20H16N4O2S2 — CID 3224832

IUPAC2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2n1CC(=O)c1ccccc1)Nc1nccs1
InChIInChI=1S/C20H16N4O2S2/c25-17(14-6-2-1-3-7-14)12-24-16-9-5-4-8-15(16)22-20(24)28-13-18(26)23-19-21-10-11-27-19/h1-11H,12-13H2,(H,21,23,26)
InChIKeyUDTYRHGJBYRDFM-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.11
Rot. Bonds7

About 2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3224832) has the molecular formula C20H16N4O2S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3224832
Molecular FormulaC20H16N4O2S2
Molecular Weight408.51 g/mol
Exact Mass408.07
IUPAC Name2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2n1CC(=O)c1ccccc1)Nc1nccs1
InChIInChI=1S/C20H16N4O2S2/c25-17(14-6-2-1-3-7-14)12-24-16-9-5-4-8-15(16)22-20(24)28-13-18(26)23-19-21-10-11-27-19/h1-11H,12-13H2,(H,21,23,26)
InChIKeyUDTYRHGJBYRDFM-UHFFFAOYSA-N
XLogP4.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide
CID 3224831
2-[4-oxo-3-[2-[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]ethyl]quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 46370345
2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 1470406
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
2-(1-benzylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 847800
2-[4-oxo-3-(3,4,5-trifluorophenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 53308404
2-[3-[(2-chlorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 4050953
N-[(1S)-1-[4-(2-methylpropyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 95731031
N-[(1R)-1-[4-methyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 95731057
2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 162655134
2-[[4-oxo-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 6624314

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 3224832) is 2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2n1CC(=O)c1ccccc1)Nc1nccs1.
What is the InChIKey of 2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is UDTYRHGJBYRDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S2/c25-17(14-6-2-1-3-7-14)12-24-16-9-5-4-8-15(16)22-20(24)28-13-18(26)23-19-21-10-11-27-19/h1-11H,12-13H2,(H,21,23,26).
What are the key properties of 2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 408.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenacylbenzimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3224832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).