N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C18H19N3O3S2 — CID 4794665

IUPACN-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C18H19N3O3S2/c1-11-4-5-15(24-3)14(6-11)20-16(22)10-25-9-13-7-17(23)21-12(2)8-26-18(21)19-13/h4-8H,9-10H2,1-3H3,(H,20,22)
InChIKeyYTNNFVZIXFEHTM-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.25
Rot. Bonds6

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

N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 4794665) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
PubChem CID4794665
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C18H19N3O3S2/c1-11-4-5-15(24-3)14(6-11)20-16(22)10-25-9-13-7-17(23)21-12(2)8-26-18(21)19-13/h4-8H,9-10H2,1-3H3,(H,20,22)
InChIKeyYTNNFVZIXFEHTM-UHFFFAOYSA-N
XLogP3.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-Methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135478023
(5Z)-5-(4-methoxybenzylidene)-3-(2-methoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16193804
3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155273
N-(2-methoxy-5-methylphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 880073
4,5-Dihydro-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-2-thiazolamine
CID 2345334
2-(5-Benzyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1073879
(5E)-2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5291925
2-{[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 135419163
N-(2-methoxy-5-methylphenyl)-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 989903
2-Imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 1256574
N-(4-fluorophenyl)-2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155253
N-cyclohexyl-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2155260

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 4794665) is N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is COc1ccc(C)cc1NC(=O)CSCc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The InChIKey is YTNNFVZIXFEHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-11-4-5-15(24-3)14(6-11)20-16(22)10-25-9-13-7-17(23)21-12(2)8-26-18(21)19-13/h4-8H,9-10H2,1-3H3,(H,20,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 4794665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).