2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C19H25N5O3S — CID 55354460

IUPAC2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1nc(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cs1
InChIInChI=1S/C19H25N5O3S/c1-14(25)20-19-22-16(13-28-19)11-23(2)12-18(26)21-15-3-5-17(6-4-15)24-7-9-27-10-8-24/h3-6,13H,7-12H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyKQETUZLDNJZJKW-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.01
Rot. Bonds7

About 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55354460) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55354460
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1nc(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cs1
InChIInChI=1S/C19H25N5O3S/c1-14(25)20-19-22-16(13-28-19)11-23(2)12-18(26)21-15-3-5-17(6-4-15)24-7-9-27-10-8-24/h3-6,13H,7-12H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyKQETUZLDNJZJKW-UHFFFAOYSA-N
XLogP2.01
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55439428
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
2-[methyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55504037
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4806660
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 45497639

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55354460) is 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CC(=O)Nc1nc(CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cs1.
What is the InChIKey of 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is KQETUZLDNJZJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-14(25)20-19-22-16(13-28-19)11-23(2)12-18(26)21-15-3-5-17(6-4-15)24-7-9-27-10-8-24/h3-6,13H,7-12H2,1-2H3,(H,21,26)(H,20,22,25).
What are the key properties of 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55354460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).