N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide

C24H20N2O2S — CID 122217746

IUPACN-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)[C@]1(c2ccccc2)N=C(c2ccccc2)SC1=O
InChIInChI=1S/C24H20N2O2S/c1-17(25-21(27)18-11-5-2-6-12-18)24(20-15-9-4-10-16-20)23(28)29-22(26-24)19-13-7-3-8-14-19/h2-17H,1H3,(H,25,27)/t17-,24+/m0/s1
InChIKeyDQLACSSOBBGFOC-BXKMTCNYSA-N
MW400.50 g/mol
LogP4.42
Rot. Bonds5

About N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide

N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 122217746) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID122217746
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC NameN-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)[C@]1(c2ccccc2)N=C(c2ccccc2)SC1=O
InChIInChI=1S/C24H20N2O2S/c1-17(25-21(27)18-11-5-2-6-12-18)24(20-15-9-4-10-16-20)23(28)29-22(26-24)19-13-7-3-8-14-19/h2-17H,1H3,(H,25,27)/t17-,24+/m0/s1
InChIKeyDQLACSSOBBGFOC-BXKMTCNYSA-N
XLogP4.42
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide (CID 122217746) is N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide is C[C@H](NC(=O)c1ccccc1)[C@]1(c2ccccc2)N=C(c2ccccc2)SC1=O.
What is the InChIKey of N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is DQLACSSOBBGFOC-BXKMTCNYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17(25-21(27)18-11-5-2-6-12-18)24(20-15-9-4-10-16-20)23(28)29-22(26-24)19-13-7-3-8-14-19/h2-17H,1H3,(H,25,27)/t17-,24+/m0/s1.
What are the key properties of N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide?
N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 400.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(4S)-5-oxo-2,4-diphenyl-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 122217746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).