N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

C17H23N3OS — CID 110328812

IUPACN-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2sc(C)nc2C)cc1
InChIInChI=1S/C17H23N3OS/c1-5-20(6-2)15-9-7-14(8-10-15)19-17(21)11-16-12(3)18-13(4)22-16/h7-10H,5-6,11H2,1-4H3,(H,19,21)
InChIKeyDBPHXKDCXUJQQO-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.79
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (PubChem CID 110328812) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
PubChem CID110328812
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2sc(C)nc2C)cc1
InChIInChI=1S/C17H23N3OS/c1-5-20(6-2)15-9-7-14(8-10-15)19-17(21)11-16-12(3)18-13(4)22-16/h7-10H,5-6,11H2,1-4H3,(H,19,21)
InChIKeyDBPHXKDCXUJQQO-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-[[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 131947902
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 45492808
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110328814
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
CID 110678645
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131896511
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
N-[4-(diethylamino)phenyl]-2-isocyanoacetamide
CID 108814829

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (CID 110328812) is N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is CCN(CC)c1ccc(NC(=O)Cc2sc(C)nc2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is DBPHXKDCXUJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-5-20(6-2)15-9-7-14(8-10-15)19-17(21)11-16-12(3)18-13(4)22-16/h7-10H,5-6,11H2,1-4H3,(H,19,21).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 317.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 110328812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).