N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide

C18H16N2O2S2 — CID 1243092

IUPACN-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide
SMILESO=C(N[C@@H](SC1=NCCS1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2S2/c21-15(13-7-3-1-4-8-13)17(24-18-19-11-12-23-18)20-16(22)14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,20,22)/t17-/m0/s1
InChIKeyKGXFWFGLFWRMQF-KRWDZBQOSA-N
MW356.47 g/mol
LogP3.46
Rot. Bonds5

About N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide

N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide (PubChem CID 1243092) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide
PubChem CID1243092
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC NameN-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide
SMILESO=C(N[C@@H](SC1=NCCS1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2S2/c21-15(13-7-3-1-4-8-13)17(24-18-19-11-12-23-18)20-16(22)14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,20,22)/t17-/m0/s1
InChIKeyKGXFWFGLFWRMQF-KRWDZBQOSA-N
XLogP3.46
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide
CID 41097239
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 3246749
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone
CID 794515
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
N-[1-benzylsulfanyl-2-(4-chlorophenyl)-2-oxoethyl]benzamide
CID 132932637
2-(1-phenylbut-3-enylsulfanyl)-4,5-dihydro-1,3-thiazole
CID 134065966
2-benzamido-2-propan-2-ylsulfanylacetic acid
CID 24976504
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide
CID 102046322
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
CID 1046762
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-(1-benzylsulfanyl-2-oxo-2-phenylethyl)acetamide
CID 71832889
2,2-dibenzamidoacetic acid
CID 12521150

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide (CID 1243092) is N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide is O=C(N[C@@H](SC1=NCCS1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide?
The InChIKey is KGXFWFGLFWRMQF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c21-15(13-7-3-1-4-8-13)17(24-18-19-11-12-23-18)20-16(22)14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide?
N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide has a molecular weight of 356.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-2-oxo-2-phenylethyl]benzamide is sourced from PubChem (CID 1243092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).