N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine

C9H14N2S — CID 105161160

IUPACN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine
SMILESC=CC(NCC)c1csc(C)n1
InChIInChI=1S/C9H14N2S/c1-4-8(10-5-2)9-6-12-7(3)11-9/h4,6,8,10H,1,5H2,2-3H3
InChIKeyGYJYWGWSTFTZPY-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.29
Rot. Bonds4

About N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine

N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine (PubChem CID 105161160) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine
PubChem CID105161160
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine
SMILESC=CC(NCC)c1csc(C)n1
InChIInChI=1S/C9H14N2S/c1-4-8(10-5-2)9-6-12-7(3)11-9/h4,6,8,10H,1,5H2,2-3H3
InChIKeyGYJYWGWSTFTZPY-UHFFFAOYSA-N
XLogP2.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine (CID 105161160) is N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine is C=CC(NCC)c1csc(C)n1.
What is the InChIKey of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine?
The InChIKey is GYJYWGWSTFTZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-4-8(10-5-2)9-6-12-7(3)11-9/h4,6,8,10H,1,5H2,2-3H3.
What are the key properties of N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine?
N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine has a molecular weight of 182.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 105161160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).