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

C18H18N2OS2 — CID 2340300

IUPACN-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2OS2/c21-16(13-23-18-19-11-12-22-18)20-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,20,21)
InChIKeyBUWKDMLFANXREX-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.73
Rot. Bonds5

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

N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 2340300) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID2340300
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC NameN-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2OS2/c21-16(13-23-18-19-11-12-22-18)20-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,20,21)
InChIKeyBUWKDMLFANXREX-UHFFFAOYSA-N
XLogP3.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-phenylmethyl]acetamide
CID 1811624
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
3-[(2-fluorobenzyl)thio]-N-(1-phenylethyl)propanamide
CID 5053724
[2-[[2-(Dimethylamino)-2-phenylethyl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 16312302
N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
CID 2340303
N-Diphenylmethylpropionamide
CID 4156638
N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide
CID 57326782
N-(1-Phenyl-ethyl)-2-p-tolylsulfanyl-acetamide
CID 2890360
N-benzyl-2-[(3-fluorobenzyl)thio]acetamide
CID 3379551
N-benzyl-2-[(2-fluorobenzyl)thio]acetamide
CID 4281207

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 2340300) is N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is O=C(CSC1=NCCS1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is BUWKDMLFANXREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c21-16(13-23-18-19-11-12-22-18)20-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,20,21).
What are the key properties of N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 342.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2340300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).