N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C21H23FN4OS — CID 16676315

IUPACN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C21H23FN4OS/c1-25(2)10-11-26(14-16-5-7-18(22)8-6-16)20(27)12-19-15-28-21(24-19)17-4-3-9-23-13-17/h3-9,13,15H,10-12,14H2,1-2H3
InChIKeyVDXRLBHDACKJHS-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.48
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 16676315) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID16676315
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C21H23FN4OS/c1-25(2)10-11-26(14-16-5-7-18(22)8-6-16)20(27)12-19-15-28-21(24-19)17-4-3-9-23-13-17/h3-9,13,15H,10-12,14H2,1-2H3
InChIKeyVDXRLBHDACKJHS-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 16676315) is N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CN(C)CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is VDXRLBHDACKJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c1-25(2)10-11-26(14-16-5-7-18(22)8-6-16)20(27)12-19-15-28-21(24-19)17-4-3-9-23-13-17/h3-9,13,15H,10-12,14H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 16676315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).