(2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide

C24H23N3O3S — CID 95059118

IUPAC(2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc(OCc2cc(=O)n3cc(C)sc3n2)c1)c1ccccc1
InChIInChI=1S/C24H23N3O3S/c1-3-21(17-8-5-4-6-9-17)23(29)25-18-10-7-11-20(12-18)30-15-19-13-22(28)27-14-16(2)31-24(27)26-19/h4-14,21H,3,15H2,1-2H3,(H,25,29)/t21-/m1/s1
InChIKeyVLWIHDKRLSSGFD-OAQYLSRUSA-N
MW433.53 g/mol
LogP4.78
Rot. Bonds7

About (2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide

(2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide (PubChem CID 95059118) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is (2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide
PubChem CID95059118
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name(2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc(OCc2cc(=O)n3cc(C)sc3n2)c1)c1ccccc1
InChIInChI=1S/C24H23N3O3S/c1-3-21(17-8-5-4-6-9-17)23(29)25-18-10-7-11-20(12-18)30-15-19-13-22(28)27-14-16(2)31-24(27)26-19/h4-14,21H,3,15H2,1-2H3,(H,25,29)/t21-/m1/s1
InChIKeyVLWIHDKRLSSGFD-OAQYLSRUSA-N
XLogP4.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53043759
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
CID 92876298
(2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 51694699
(2R)-N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
CID 92876314
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate
CID 51436225
2-methyl-N-[3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]propanamide
CID 22580453
N-[3-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 20874311
N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53092425
N-[3-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
CID 20874240
N-[3-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide
CID 20874180
4-ethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356590
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 22580428

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide (CID 95059118) is (2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1cccc(OCc2cc(=O)n3cc(C)sc3n2)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide?
The InChIKey is VLWIHDKRLSSGFD-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-3-21(17-8-5-4-6-9-17)23(29)25-18-10-7-11-20(12-18)30-15-19-13-22(28)27-14-16(2)31-24(27)26-19/h4-14,21H,3,15H2,1-2H3,(H,25,29)/t21-/m1/s1.
What are the key properties of (2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide?
(2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide has a molecular weight of 433.53 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 95059118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).