N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine

C12H22N2S — CID 107893638

IUPACN-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
SMILESCCCC(C)C(NCC)c1scnc1C
InChIInChI=1S/C12H22N2S/c1-5-7-9(3)11(13-6-2)12-10(4)14-8-15-12/h8-9,11,13H,5-7H2,1-4H3
InChIKeyREVMDXSMEKVORW-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.54
Rot. Bonds6

About N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine

N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine (PubChem CID 107893638) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
PubChem CID107893638
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
SMILESCCCC(C)C(NCC)c1scnc1C
InChIInChI=1S/C12H22N2S/c1-5-7-9(3)11(13-6-2)12-10(4)14-8-15-12/h8-9,11,13H,5-7H2,1-4H3
InChIKeyREVMDXSMEKVORW-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105125558
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893654
N-ethyl-1-(3-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 107893684
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
CID 105163726
1-(4-methyl-1,3-thiazol-5-yl)pentylhydrazine
CID 105293729
1-(4-methyl-1,3-thiazol-5-yl)nonan-1-ol
CID 105085734
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine
CID 106226089
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine
CID 105181533
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-2-methylpentan-1-amine
CID 107896833
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine (CID 107893638) is N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine is CCCC(C)C(NCC)c1scnc1C.
What is the InChIKey of N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine?
The InChIKey is REVMDXSMEKVORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-7-9(3)11(13-6-2)12-10(4)14-8-15-12/h8-9,11,13H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine?
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 107893638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).