2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide

C12H21N3OS — CID 113308943

IUPAC2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESCCC(CC)(CN)C(=O)N(C)Cc1cscn1
InChIInChI=1S/C12H21N3OS/c1-4-12(5-2,8-13)11(16)15(3)6-10-7-17-9-14-10/h7,9H,4-6,8,13H2,1-3H3
InChIKeySYJUFBLNUXGQFD-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.87
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide

2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide (PubChem CID 113308943) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
PubChem CID113308943
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESCCC(CC)(CN)C(=O)N(C)Cc1cscn1
InChIInChI=1S/C12H21N3OS/c1-4-12(5-2,8-13)11(16)15(3)6-10-7-17-9-14-10/h7,9H,4-6,8,13H2,1-3H3
InChIKeySYJUFBLNUXGQFD-UHFFFAOYSA-N
XLogP1.87
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
2,2,3,3,3-pentafluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 114038182
2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 115432547
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62256391
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 79801758
2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511690
2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
CID 114495556
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide (CID 113308943) is 2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide is CCC(CC)(CN)C(=O)N(C)Cc1cscn1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
The InChIKey is SYJUFBLNUXGQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-12(5-2,8-13)11(16)15(3)6-10-7-17-9-14-10/h7,9H,4-6,8,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide?
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide has a molecular weight of 255.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide is sourced from PubChem (CID 113308943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).