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

C12H18N2S — CID 106226089

IUPACN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(C)c1scnc1C
InChIInChI=1S/C12H18N2S/c1-5-7-11(6-2)14-10(4)12-9(3)13-8-15-12/h2,8,10-11,14H,5,7H2,1,3-4H3
InChIKeyWUFWRYOQOAHTAI-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.90
Rot. Bonds5

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

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine (PubChem CID 106226089) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine
PubChem CID106226089
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(C)c1scnc1C
InChIInChI=1S/C12H18N2S/c1-5-7-11(6-2)14-10(4)12-9(3)13-8-15-12/h2,8,10-11,14H,5,7H2,1,3-4H3
InChIKeyWUFWRYOQOAHTAI-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hex-1-yn-3-amine
CID 106226743
N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine
CID 103520520
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 107893638
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine
CID 105158458
1-(4-methylphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863036
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hept-6-en-2-amine
CID 115906867
1-(4-ethoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 43788971
4-[1-(hex-1-yn-3-ylamino)ethyl]-N,N-dimethylaniline
CID 114160896
N-[1-(4-chlorophenyl)ethyl]hex-1-yn-3-amine
CID 103520524
N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine
CID 103520522
N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43757558
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine (CID 106226089) is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine is C#CC(CCC)NC(C)c1scnc1C.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine?
The InChIKey is WUFWRYOQOAHTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-5-7-11(6-2)14-10(4)12-9(3)13-8-15-12/h2,8,10-11,14H,5,7H2,1,3-4H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine?
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine has a molecular weight of 222.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]hex-1-yn-3-amine is sourced from PubChem (CID 106226089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).