2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide

C17H16N2OS3 — CID 2359401

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H16N2OS3/c20-16(12-22-17-18-10-11-21-17)19-14-8-4-5-9-15(14)23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,20)
InChIKeyIWHDDJUXOMRELJ-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.61
Rot. Bonds5

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2359401) has the molecular formula C17H16N2OS3 and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2359401
Molecular FormulaC17H16N2OS3
Molecular Weight360.53 g/mol
Exact Mass360.04
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H16N2OS3/c20-16(12-22-17-18-10-11-21-17)19-14-8-4-5-9-15(14)23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,20)
InChIKeyIWHDDJUXOMRELJ-UHFFFAOYSA-N
XLogP4.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
CID 21230694
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide
CID 861411
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4553018
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 9454427
N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55988510
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(2-phenylsulfanylphenyl)but-3-enamide
CID 162717598
N-(2-phenylsulfanylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4600275
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone
CID 794515
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 42118571
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4044762

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide (CID 2359401) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide is O=C(CSC1=NCCS1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is IWHDDJUXOMRELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS3/c20-16(12-22-17-18-10-11-21-17)19-14-8-4-5-9-15(14)23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,20).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 360.53 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2359401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).