N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C23H15ClN4O5S — CID 51695102

IUPACN-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C23H15ClN4O5S/c24-13-5-6-18(33-12-14-10-20(30)27-7-8-34-23(27)25-14)17(9-13)26-19(29)11-28-21(31)15-3-1-2-4-16(15)22(28)32/h1-10H,11-12H2,(H,26,29)
InChIKeyAMHHZTOYSHSUFT-UHFFFAOYSA-N
MW494.92 g/mol
LogP3.22
Rot. Bonds6

About N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 51695102) has the molecular formula C23H15ClN4O5S and a molecular weight of 494.92 g/mol. Its IUPAC name is N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID51695102
Molecular FormulaC23H15ClN4O5S
Molecular Weight494.92 g/mol
Exact Mass494.05
IUPAC NameN-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C23H15ClN4O5S/c24-13-5-6-18(33-12-14-10-20(30)27-7-8-34-23(27)25-14)17(9-13)26-19(29)11-28-21(31)15-3-1-2-4-16(15)22(28)32/h1-10H,11-12H2,(H,26,29)
InChIKeyAMHHZTOYSHSUFT-UHFFFAOYSA-N
XLogP3.22
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.92
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-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

N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 53092245
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 16508114
N-[5-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 53092280
methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoate
CID 7764019
7-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7817594
N-[5-chloro-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-3-methylbutanamide
CID 53009019
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-[4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 53092322
N-(5-chloro-2-methoxyphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201914
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile
CID 2659540
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46356625

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 51695102) is N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is AMHHZTOYSHSUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O5S/c24-13-5-6-18(33-12-14-10-20(30)27-7-8-34-23(27)25-14)17(9-13)26-19(29)11-28-21(31)15-3-1-2-4-16(15)22(28)32/h1-10H,11-12H2,(H,26,29).
What are the key properties of N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 494.92 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 51695102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).