N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide

C19H24N4O4S — CID 75270555

IUPACN-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
SMILESCOc1cccc(CNC(=O)CN2C(=O)N(CC(C)C)C(=O)C3NSC=C32)c1
InChIInChI=1S/C19H24N4O4S/c1-12(2)9-23-18(25)17-15(11-28-21-17)22(19(23)26)10-16(24)20-8-13-5-4-6-14(7-13)27-3/h4-7,11-12,17,21H,8-10H2,1-3H3,(H,20,24)
InChIKeyDCKWTZKDTXYEFN-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.69
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide

N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide (PubChem CID 75270555) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
PubChem CID75270555
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide
SMILESCOc1cccc(CNC(=O)CN2C(=O)N(CC(C)C)C(=O)C3NSC=C32)c1
InChIInChI=1S/C19H24N4O4S/c1-12(2)9-23-18(25)17-15(11-28-21-17)22(19(23)26)10-16(24)20-8-13-5-4-6-14(7-13)27-3/h4-7,11-12,17,21H,8-10H2,1-3H3,(H,20,24)
InChIKeyDCKWTZKDTXYEFN-UHFFFAOYSA-N
XLogP1.69
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 24608265
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 24605753
N-[(3-methoxyphenyl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24608696
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-[(3-methoxyphenyl)methyl]-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242813
propan-2-yl 6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032922

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide (CID 75270555) is N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide is COc1cccc(CNC(=O)CN2C(=O)N(CC(C)C)C(=O)C3NSC=C32)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide?
The InChIKey is DCKWTZKDTXYEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-12(2)9-23-18(25)17-15(11-28-21-17)22(19(23)26)10-16(24)20-8-13-5-4-6-14(7-13)27-3/h4-7,11-12,17,21H,8-10H2,1-3H3,(H,20,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[6-(2-methylpropyl)-5,7-dioxo-1,7a-dihydro-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 75270555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).