3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide

C12H21N3OS — CID 113354496

IUPAC3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
SMILESCc1nc(C(C)NCC(C)(C)C(N)=O)c(C)s1
InChIInChI=1S/C12H21N3OS/c1-7(10-8(2)17-9(3)15-10)14-6-12(4,5)11(13)16/h7,14H,6H2,1-5H3,(H2,13,16)
InChIKeyLHTQSPPOLKVQFX-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.92
Rot. Bonds5

About 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide

3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide (PubChem CID 113354496) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
PubChem CID113354496
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
SMILESCc1nc(C(C)NCC(C)(C)C(N)=O)c(C)s1
InChIInChI=1S/C12H21N3OS/c1-7(10-8(2)17-9(3)15-10)14-6-12(4,5)11(13)16/h7,14H,6H2,1-5H3,(H2,13,16)
InChIKeyLHTQSPPOLKVQFX-UHFFFAOYSA-N
XLogP1.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 112551263
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 43310810
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636574
2,2-dimethyl-3-[[(1S)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636575
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 43101627
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide
CID 43567206
tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
CID 103830765
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
CID 115903334

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide (CID 113354496) is 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide is Cc1nc(C(C)NCC(C)(C)C(N)=O)c(C)s1.
What is the InChIKey of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide?
The InChIKey is LHTQSPPOLKVQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-7(10-8(2)17-9(3)15-10)14-6-12(4,5)11(13)16/h7,14H,6H2,1-5H3,(H2,13,16).
What are the key properties of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide?
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide has a molecular weight of 255.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 113354496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).