2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C11H20N2S — CID 115747399

IUPAC2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1ncc(CCNCC(C)(C)C)s1
InChIInChI=1S/C11H20N2S/c1-9-13-7-10(14-9)5-6-12-8-11(2,3)4/h7,12H,5-6,8H2,1-4H3
InChIKeyWSORZMOVFUWUSL-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.63
Rot. Bonds4

About 2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 115747399) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID115747399
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1ncc(CCNCC(C)(C)C)s1
InChIInChI=1S/C11H20N2S/c1-9-13-7-10(14-9)5-6-12-8-11(2,3)4/h7,12H,5-6,8H2,1-4H3
InChIKeyWSORZMOVFUWUSL-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-but-3-enyl-2-methyl-1,3-thiazole
CID 145451316
1-tert-butyl-3-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 110747789
2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115747393
N-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115747364
3-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 64677698
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115747382
2-N,2-N,2-trimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 60777467
2-tert-butylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115614481
N-(2-methoxyethyl)-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 63020328
2,2-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 79623536
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hept-6-en-3-amine
CID 115895011

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 115747399) is 2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is Cc1ncc(CCNCC(C)(C)C)s1.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is WSORZMOVFUWUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9-13-7-10(14-9)5-6-12-8-11(2,3)4/h7,12H,5-6,8H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115747399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).