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

C20H23N5O3S — CID 2462014

IUPAC2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C20H23N5O3S/c1-23(13-16-12-19(27)25-8-11-29-20(25)22-16)14-18(26)21-15-2-4-17(5-3-15)24-6-9-28-10-7-24/h2-5,8,11-12H,6-7,9-10,13-14H2,1H3,(H,21,26)
InChIKeyBJRUKEDRHFDCPY-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.66
Rot. Bonds6

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

2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2462014) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2462014
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C20H23N5O3S/c1-23(13-16-12-19(27)25-8-11-29-20(25)22-16)14-18(26)21-15-2-4-17(5-3-15)24-6-9-28-10-7-24/h2-5,8,11-12H,6-7,9-10,13-14H2,1H3,(H,21,26)
InChIKeyBJRUKEDRHFDCPY-UHFFFAOYSA-N
XLogP1.66
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438475
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 2523532
3,6-dimethyl-2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4151798
2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4336212
7-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 8083550
5-keto-3,7-dimethyl-N-(4-morpholinophenyl)thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990080
7-Methyl-N-{4-[4-(2-methylpropanoyl)piperazin-1-YL]phenyl}-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-sulfonamide
CID 15990180
N-ethyl-7-[(4-fluoro-N-propylanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 127046302
N-ethyl-7-[(4-fluoro-N-methylanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 127047930
5-ethyl-6-methyl-2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 135413718
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 135402479

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2462014) is 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is BJRUKEDRHFDCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-23(13-16-12-19(27)25-8-11-29-20(25)22-16)14-18(26)21-15-2-4-17(5-3-15)24-6-9-28-10-7-24/h2-5,8,11-12H,6-7,9-10,13-14H2,1H3,(H,21,26).
What are the key properties of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 413.50 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2462014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).