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

C11H16N2S — CID 116643984

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCNCCc1scnc1C
InChIInChI=1S/C11H16N2S/c1-3-4-5-7-12-8-6-11-10(2)13-9-14-11/h9,12H,5-8H2,1-2H3
InChIKeyYLSGPAIIRANHHN-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.00
Rot. Bonds5

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

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine (PubChem CID 116643984) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine
PubChem CID116643984
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCNCCc1scnc1C
InChIInChI=1S/C11H16N2S/c1-3-4-5-7-12-8-6-11-10(2)13-9-14-11/h9,12H,5-8H2,1-2H3
InChIKeyYLSGPAIIRANHHN-UHFFFAOYSA-N
XLogP2.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.00
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

1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65108787
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 106045272
N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 62635246
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 114616804
3-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 62070805
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069916
2-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentan-1-ol
CID 106160337
2-(4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 55201331
N-(2-but-3-enoxyethyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 106401742
2,2,3,3-tetrafluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 106291949

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine (CID 116643984) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine is CC#CCCNCCc1scnc1C.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine?
The InChIKey is YLSGPAIIRANHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-3-4-5-7-12-8-6-11-10(2)13-9-14-11/h9,12H,5-8H2,1-2H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine has a molecular weight of 208.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pent-3-yn-1-amine is sourced from PubChem (CID 116643984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).