N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide

C16H21N3OS — CID 115608401

IUPACN,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21N3OS/c1-3-19(4-2)16(20)11-17-10-15-18-14(12-21-15)13-8-6-5-7-9-13/h5-9,12,17H,3-4,10-11H2,1-2H3
InChIKeyXQKPJORXVHBUIM-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.77
Rot. Bonds7

About N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide

N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide (PubChem CID 115608401) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide
PubChem CID115608401
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21N3OS/c1-3-19(4-2)16(20)11-17-10-15-18-14(12-21-15)13-8-6-5-7-9-13/h5-9,12,17H,3-4,10-11H2,1-2H3
InChIKeyXQKPJORXVHBUIM-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
2-ethylsulfinyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115632299
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 62899206
N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethanesulfonamide
CID 106336093
N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351825
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide (CID 115608401) is N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide is CCN(CC)C(=O)CNCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide?
The InChIKey is XQKPJORXVHBUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-19(4-2)16(20)11-17-10-15-18-14(12-21-15)13-8-6-5-7-9-13/h5-9,12,17H,3-4,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide?
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide has a molecular weight of 303.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]acetamide is sourced from PubChem (CID 115608401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).