N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine

C13H20N2S — CID 115893761

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine
SMILESC#CCCCCNC(C)c1nc(C)sc1C
InChIInChI=1S/C13H20N2S/c1-5-6-7-8-9-14-10(2)13-11(3)16-12(4)15-13/h1,10,14H,6-9H2,2-4H3
InChIKeyJWJPRTWQSNMKQP-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.21
Rot. Bonds6

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine (PubChem CID 115893761) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine
PubChem CID115893761
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine
SMILESC#CCCCCNC(C)c1nc(C)sc1C
InChIInChI=1S/C13H20N2S/c1-5-6-7-8-9-14-10(2)13-11(3)16-12(4)15-13/h1,10,14H,6-9H2,2-4H3
InChIKeyJWJPRTWQSNMKQP-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 113278109
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
CID 103830765
N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 60980294
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115753105
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902867
N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 112551263

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine (CID 115893761) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine is C#CCCCCNC(C)c1nc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine?
The InChIKey is JWJPRTWQSNMKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-5-6-7-8-9-14-10(2)13-11(3)16-12(4)15-13/h1,10,14H,6-9H2,2-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine has a molecular weight of 236.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine is sourced from PubChem (CID 115893761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).