N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C22H26N4OS — CID 34234720

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C22H26N4OS/c1-3-26(4-2)15-18-10-6-5-9-17(18)14-24-21(27)13-19-16-28-22(25-19)20-11-7-8-12-23-20/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,27)
InChIKeyCKFWXPSMRDGFMV-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.91
Rot. Bonds9

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 34234720) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID34234720
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C22H26N4OS/c1-3-26(4-2)15-18-10-6-5-9-17(18)14-24-21(27)13-19-16-28-22(25-19)20-11-7-8-12-23-20/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,27)
InChIKeyCKFWXPSMRDGFMV-UHFFFAOYSA-N
XLogP3.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695
N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122144115
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55806343
N-[2-(ethylamino)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119506122
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27768196
N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119641011
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 34234720) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CCN(CC)Cc1ccccc1CNC(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CKFWXPSMRDGFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-3-26(4-2)15-18-10-6-5-9-17(18)14-24-21(27)13-19-16-28-22(25-19)20-11-7-8-12-23-20/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,27).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 394.54 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 34234720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).