N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide

C12H21N3OS — CID 54935908

IUPACN,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1csc(C)n1
InChIInChI=1S/C12H21N3OS/c1-4-15(5-2)12(16)6-7-13-8-11-9-17-10(3)14-11/h9,13H,4-8H2,1-3H3
InChIKeyFEIHFNOEUXAWNA-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.80
Rot. Bonds7

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

N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 54935908) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID54935908
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1csc(C)n1
InChIInChI=1S/C12H21N3OS/c1-4-15(5-2)12(16)6-7-13-8-11-9-17-10(3)14-11/h9,13H,4-8H2,1-3H3
InChIKeyFEIHFNOEUXAWNA-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide
CID 115595237
3-ethylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 65093047
3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
N,N-dimethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 55752087
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
CID 106235728
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
N'-butyl-N'-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 115623262
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28781366

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide (CID 54935908) is N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide is CCN(CC)C(=O)CCNCc1csc(C)n1.
What is the InChIKey of N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is FEIHFNOEUXAWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-15(5-2)12(16)6-7-13-8-11-9-17-10(3)14-11/h9,13H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 255.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 54935908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).