2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C21H13F3N2O5S — CID 27438446

IUPAC2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H13F3N2O5S/c22-21(23,24)31-13-7-5-12(6-8-13)25-17(27)10-16-18(28)26-19(32-16)14-9-11-3-1-2-4-15(11)30-20(14)29/h1-9,16H,10H2,(H,25,27)/t16-/m0/s1
InChIKeyZPGRZOGPDIMIMB-INIZCTEOSA-N
MW462.41 g/mol
LogP4.11
Rot. Bonds5

About 2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 27438446) has the molecular formula C21H13F3N2O5S and a molecular weight of 462.41 g/mol. Its IUPAC name is 2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID27438446
Molecular FormulaC21H13F3N2O5S
Molecular Weight462.41 g/mol
Exact Mass462.05
IUPAC Name2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H13F3N2O5S/c22-21(23,24)31-13-7-5-12(6-8-13)25-17(27)10-16-18(28)26-19(32-16)14-9-11-3-1-2-4-15(11)30-20(14)29/h1-9,16H,10H2,(H,25,27)/t16-/m0/s1
InChIKeyZPGRZOGPDIMIMB-INIZCTEOSA-N
XLogP4.11
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025351
N-(4-chlorophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 47007137
N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025347
N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025340
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7455818
2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9398924
2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 93020323
2-[(5R)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-[4-[(2S)-2-chloro-1,1,2-trifluoroethoxy]phenyl]acetamide
CID 6554686
N-(4-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725453
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
3-[1-phenyl-4-[[[4-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]pyrazol-3-yl]chromen-2-one
CID 71900301

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 27438446) is 2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is ZPGRZOGPDIMIMB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H13F3N2O5S/c22-21(23,24)31-13-7-5-12(6-8-13)25-17(27)10-16-18(28)26-19(32-16)14-9-11-3-1-2-4-15(11)30-20(14)29/h1-9,16H,10H2,(H,25,27)/t16-/m0/s1.
What are the key properties of 2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 462.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 27438446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).