N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C18H19N3O2S2 — CID 20961916

IUPACN-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSCc2cc(=O)n3cc(C)sc3n2)c(C)c1
InChIInChI=1S/C18H19N3O2S2/c1-11-4-5-15(12(2)6-11)20-16(22)10-24-9-14-7-17(23)21-8-13(3)25-18(21)19-14/h4-8H,9-10H2,1-3H3,(H,20,22)
InChIKeyACRHGVZZGJXEOK-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.55
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 20961916) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
PubChem CID20961916
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSCc2cc(=O)n3cc(C)sc3n2)c(C)c1
InChIInChI=1S/C18H19N3O2S2/c1-11-4-5-15(12(2)6-11)20-16(22)10-24-9-14-7-17(23)21-8-13(3)25-18(21)19-14/h4-8H,9-10H2,1-3H3,(H,20,22)
InChIKeyACRHGVZZGJXEOK-UHFFFAOYSA-N
XLogP3.55
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 20961916) is N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is Cc1ccc(NC(=O)CSCc2cc(=O)n3cc(C)sc3n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The InChIKey is ACRHGVZZGJXEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-11-4-5-15(12(2)6-11)20-16(22)10-24-9-14-7-17(23)21-8-13(3)25-18(21)19-14/h4-8H,9-10H2,1-3H3,(H,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 20961916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).