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

C12H22N2S — CID 115717805

IUPAC2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine
SMILESCCC(NC(C)c1cncs1)C(C)(C)C
InChIInChI=1S/C12H22N2S/c1-6-11(12(3,4)5)14-9(2)10-7-13-8-15-10/h7-9,11,14H,6H2,1-5H3
InChIKeyQXRDJAMBLKLASM-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.62
Rot. Bonds4

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

2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine (PubChem CID 115717805) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine
PubChem CID115717805
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine
SMILESCCC(NC(C)c1cncs1)C(C)(C)C
InChIInChI=1S/C12H22N2S/c1-6-11(12(3,4)5)14-9(2)10-7-13-8-15-10/h7-9,11,14H,6H2,1-5H3
InChIKeyQXRDJAMBLKLASM-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115901615
2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 115880423
N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
1-cyclopropyl-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 115707513
N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103779588
3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735
methyl (2S)-3-methyl-2-[1-(1,3-thiazol-5-yl)ethylamino]butanoate
CID 104865935
2-ethyl-N-[1-(1,3-thiazol-5-yl)ethyl]cyclopropan-1-amine
CID 103783780
2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115895637
3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 113261620
N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
CID 115704509
(1R)-1-(4-bromophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 114985837

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine (CID 115717805) is 2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine is CCC(NC(C)c1cncs1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine?
The InChIKey is QXRDJAMBLKLASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-6-11(12(3,4)5)14-9(2)10-7-13-8-15-10/h7-9,11,14H,6H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine?
2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine has a molecular weight of 226.39 g/mol, XLogP of 3.62, 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-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 115717805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).