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

C23H21N3O3S2 — CID 53092367

IUPACN-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide
SMILESCc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C23H21N3O3S2/c1-15-8-9-20(19(10-15)25-21(27)14-30-18-6-4-3-5-7-18)29-12-17-11-22(28)26-16(2)13-31-23(26)24-17/h3-11,13H,12,14H2,1-2H3,(H,25,27)
InChIKeyYDNQYXXCUSJGAF-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.68
Rot. Bonds7

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

N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide (PubChem CID 53092367) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide
PubChem CID53092367
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC NameN-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide
SMILESCc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C23H21N3O3S2/c1-15-8-9-20(19(10-15)25-21(27)14-30-18-6-4-3-5-7-18)29-12-17-11-22(28)26-16(2)13-31-23(26)24-17/h3-11,13H,12,14H2,1-2H3,(H,25,27)
InChIKeyYDNQYXXCUSJGAF-UHFFFAOYSA-N
XLogP4.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxyacetamide
CID 53092358
2-methyl-N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide
CID 53043741
N-[5-methyl-2-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl]-2-phenoxyacetamide
CID 53030413
N-[2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]-2-(2-methylphenoxy)acetamide
CID 20939266
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-naphthalen-1-ylacetamide
CID 46346316
4-methyl-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 46258458
(2S)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]propanoic acid
CID 104876458
N-[5-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 53092280
(2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 51694699
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-chloro-5-methylphenoxy)acetate
CID 7234792
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-naphthalen-2-yloxyacetate
CID 7843292
2-(3,4-dimethylphenoxy)-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide
CID 53092411

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide (CID 53092367) is N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide is Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(NC(=O)CSc2ccccc2)c1.
What is the InChIKey of N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide?
The InChIKey is YDNQYXXCUSJGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-15-8-9-20(19(10-15)25-21(27)14-30-18-6-4-3-5-7-18)29-12-17-11-22(28)26-16(2)13-31-23(26)24-17/h3-11,13H,12,14H2,1-2H3,(H,25,27).
What are the key properties of N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide?
N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide has a molecular weight of 451.57 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 53092367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).