N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

C17H18N4O2S2 — CID 46329136

IUPACN-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCCSc1nc2ncn(CC(=O)Nc3c(C)cccc3C)c(=O)c2s1
InChIInChI=1S/C17H18N4O2S2/c1-4-24-17-20-15-14(25-17)16(23)21(9-18-15)8-12(22)19-13-10(2)6-5-7-11(13)3/h5-7,9H,4,8H2,1-3H3,(H,19,22)
InChIKeyAJDRKIAMIUTSCL-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.22
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 46329136) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID46329136
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCCSc1nc2ncn(CC(=O)Nc3c(C)cccc3C)c(=O)c2s1
InChIInChI=1S/C17H18N4O2S2/c1-4-24-17-20-15-14(25-17)16(23)21(9-18-15)8-12(22)19-13-10(2)6-5-7-11(13)3/h5-7,9H,4,8H2,1-3H3,(H,19,22)
InChIKeyAJDRKIAMIUTSCL-UHFFFAOYSA-N
XLogP3.22
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-5,7-dioxo-6-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 53128806
N-(2,6-dimethylphenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 27373046
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51363440
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841673
N-(2,6-dimethylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602357
1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide
CID 53129099
N-cyclopropyl-1-[7-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 51363419
N-(3-chlorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784939
N-(2,4-dimethylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784994
N-(3-methylsulfanylphenyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785150
N-(2,6-dimethylphenyl)-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 3151767
2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 50784828

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 46329136) is N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is CCSc1nc2ncn(CC(=O)Nc3c(C)cccc3C)c(=O)c2s1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is AJDRKIAMIUTSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-4-24-17-20-15-14(25-17)16(23)21(9-18-15)8-12(22)19-13-10(2)6-5-7-11(13)3/h5-7,9H,4,8H2,1-3H3,(H,19,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-ethylsulfanyl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 46329136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).