2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine

C11H20N2S — CID 103698488

IUPAC2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCCC(C)(C)CNCc1nc(C)cs1
InChIInChI=1S/C11H20N2S/c1-5-11(3,4)8-12-6-10-13-9(2)7-14-10/h7,12H,5-6,8H2,1-4H3
InChIKeyMIHUQNLLMAUZMT-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.98
Rot. Bonds5

About 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine

2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine (PubChem CID 103698488) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
PubChem CID103698488
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCCC(C)(C)CNCc1nc(C)cs1
InChIInChI=1S/C11H20N2S/c1-5-11(3,4)8-12-6-10-13-9(2)7-14-10/h7,12H,5-6,8H2,1-4H3
InChIKeyMIHUQNLLMAUZMT-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992561
2-methyl-2-methylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115664534
1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104574977
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 111467697
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 61043484
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine (CID 103698488) is 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine is CCC(C)(C)CNCc1nc(C)cs1.
What is the InChIKey of 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The InChIKey is MIHUQNLLMAUZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-11(3,4)8-12-6-10-13-9(2)7-14-10/h7,12H,5-6,8H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine?
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 103698488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).