N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine

C12H18N2S — CID 105181533

IUPACN-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1scnc1C
InChIInChI=1S/C12H18N2S/c1-4-6-7-8-11(13-5-2)12-10(3)14-9-15-12/h9,11,13H,5,7-8H2,1-3H3
InChIKeyDWZCYYFAJWPUDT-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.91
Rot. Bonds5

About N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine

N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine (PubChem CID 105181533) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine
PubChem CID105181533
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1scnc1C
InChIInChI=1S/C12H18N2S/c1-4-6-7-8-11(13-5-2)12-10(3)14-9-15-12/h9,11,13H,5,7-8H2,1-3H3
InChIKeyDWZCYYFAJWPUDT-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105125558
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-3-yn-1-amine
CID 105112701
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105136543
1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine
CID 104807424
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154905
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 107893638
N-[(2,3-dimethylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140660
N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140832
3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 114984204
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-4-yn-1-amine
CID 105181467
4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 105190197
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine?
The IUPAC name of N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine (CID 105181533) is N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine?
The canonical SMILES for N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine is CC#CCCC(NCC)c1scnc1C.
What is the InChIKey of N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine?
The InChIKey is DWZCYYFAJWPUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-4-6-7-8-11(13-5-2)12-10(3)14-9-15-12/h9,11,13H,5,7-8H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine?
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine has a molecular weight of 222.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine is sourced from PubChem (CID 105181533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).