N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine

C11H18N2S — CID 115890511

IUPACN-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(C)c1cnc(C)s1
InChIInChI=1S/C11H18N2S/c1-5-6-8(2)13-9(3)11-7-12-10(4)14-11/h5,7-9,13H,1,6H2,2-4H3
InChIKeyQDTBXRGVKBETOX-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine

N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine (PubChem CID 115890511) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine
PubChem CID115890511
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(C)c1cnc(C)s1
InChIInChI=1S/C11H18N2S/c1-5-6-8(2)13-9(3)11-7-12-10(4)14-11/h5,7-9,13H,1,6H2,2-4H3
InChIKeyQDTBXRGVKBETOX-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969
3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115777954
2-methyl-2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115777972
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]buta-2,3-dienamide
CID 176529824
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115891764
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine
CID 115901331
N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 115777798
N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
CID 166765987
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115894187
2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115920282

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine (CID 115890511) is N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine is C=CCC(C)NC(C)c1cnc(C)s1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine?
The InChIKey is QDTBXRGVKBETOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-5-6-8(2)13-9(3)11-7-12-10(4)14-11/h5,7-9,13H,1,6H2,2-4H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine?
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine is sourced from PubChem (CID 115890511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).