2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C24H25N5O4S — CID 24739975

IUPAC2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCOCCNCc1cccc(OCC(=O)Nc2cc(-c3nccs3)nc(-c3ccc(C)o3)n2)c1
InChIInChI=1S/C24H25N5O4S/c1-16-6-7-20(33-16)23-27-19(24-26-9-11-34-24)13-21(29-23)28-22(30)15-32-18-5-3-4-17(12-18)14-25-8-10-31-2/h3-7,9,11-13,25H,8,10,14-15H2,1-2H3,(H,27,28,29,30)
InChIKeyBCQOEJUZAWAUBU-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.92
Rot. Bonds11

About 2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 24739975) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID24739975
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCOCCNCc1cccc(OCC(=O)Nc2cc(-c3nccs3)nc(-c3ccc(C)o3)n2)c1
InChIInChI=1S/C24H25N5O4S/c1-16-6-7-20(33-16)23-27-19(24-26-9-11-34-24)13-21(29-23)28-22(30)15-32-18-5-3-4-17(12-18)14-25-8-10-31-2/h3-7,9,11-13,25H,8,10,14-15H2,1-2H3,(H,27,28,29,30)
InChIKeyBCQOEJUZAWAUBU-UHFFFAOYSA-N
XLogP3.92
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 24822437
N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057420
2-[3-(aminomethyl)piperidin-1-yl]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 57428296
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 11956948
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 11956480
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetamide
CID 11956649
N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057253
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
N-[2-(5-methylfuran-2-yl)-6-pyridin-2-ylpyrimidin-4-yl]propanamide
CID 143309402
3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63057423
N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide
CID 82330971
2-methoxy-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63057591

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 24739975) is 2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is COCCNCc1cccc(OCC(=O)Nc2cc(-c3nccs3)nc(-c3ccc(C)o3)n2)c1.
What is the InChIKey of 2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is BCQOEJUZAWAUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-16-6-7-20(33-16)23-27-19(24-26-9-11-34-24)13-21(29-23)28-22(30)15-32-18-5-3-4-17(12-18)14-25-8-10-31-2/h3-7,9,11-13,25H,8,10,14-15H2,1-2H3,(H,27,28,29,30).
What are the key properties of 2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 479.56 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxyethylamino)methyl]phenoxy]-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24739975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).