3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide

C14H26N4O2S — CID 60925601

IUPAC3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1sc(N(C)C)nc1OC
InChIInChI=1S/C14H26N4O2S/c1-6-18(7-2)12(19)8-9-15-10-11-13(20-5)16-14(21-11)17(3)4/h15H,6-10H2,1-5H3
InChIKeyKNHMNCOXUKGUDK-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.57
Rot. Bonds9

About 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide

3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide (PubChem CID 60925601) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide
PubChem CID60925601
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCc1sc(N(C)C)nc1OC
InChIInChI=1S/C14H26N4O2S/c1-6-18(7-2)12(19)8-9-15-10-11-13(20-5)16-14(21-11)17(3)4/h15H,6-10H2,1-5H3
InChIKeyKNHMNCOXUKGUDK-UHFFFAOYSA-N
XLogP1.57
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]ethyl]-N-ethylcarbamate
CID 113230829
2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N-propylacetamide
CID 43665262
2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide
CID 43665038
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,2,2-trimethylpropanamide
CID 106275758
5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665239
4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43665108
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 79352826
5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 106038137
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43665203
4-ethyl-5-[(2-methoxyethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765858

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide (CID 60925601) is 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCc1sc(N(C)C)nc1OC.
What is the InChIKey of 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide?
The InChIKey is KNHMNCOXUKGUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-6-18(7-2)12(19)8-9-15-10-11-13(20-5)16-14(21-11)17(3)4/h15H,6-10H2,1-5H3.
What are the key properties of 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide?
3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide has a molecular weight of 314.46 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 60925601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).