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

C19H22N4O3S — CID 53153180

IUPACN-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
SMILESCCCn1c(=O)c2nscc2n(CC(=O)NCc2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C19H22N4O3S/c1-4-7-22-18(25)17-15(11-27-21-17)23(19(22)26)10-16(24)20-9-14-6-5-12(2)13(3)8-14/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,20,24)
InChIKeyQMTOELFNFWUVFU-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.96
Rot. Bonds6

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

N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide (PubChem CID 53153180) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
PubChem CID53153180
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
SMILESCCCn1c(=O)c2nscc2n(CC(=O)NCc2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C19H22N4O3S/c1-4-7-22-18(25)17-15(11-27-21-17)23(19(22)26)10-16(24)20-9-14-6-5-12(2)13(3)8-14/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,20,24)
InChIKeyQMTOELFNFWUVFU-UHFFFAOYSA-N
XLogP1.96
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53153187
2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)acetamide
CID 53153143
N-(2,3-dimethylphenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153157
2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 53153167
N-(4-chloro-2-fluorophenyl)-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide
CID 53153171
N-[(2R)-butan-2-yl]-2-[6-[(3-methylphenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
CID 95098165
N-[(4-chlorophenyl)methyl]-2-[3-[(3,4-dimethylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923119
2-(6-ethyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(3-fluorophenyl)acetamide
CID 53153215
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
CID 53153032
2-(3-butyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46923188
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95098159
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 53153031

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide (CID 53153180) is N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide is CCCn1c(=O)c2nscc2n(CC(=O)NCc2ccc(C)c(C)c2)c1=O.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
The InChIKey is QMTOELFNFWUVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-4-7-22-18(25)17-15(11-27-21-17)23(19(22)26)10-16(24)20-9-14-6-5-12(2)13(3)8-14/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,20,24).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide?
N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-(5,7-dioxo-6-propyl-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 53153180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).