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

C12H20N2S — CID 99629512

IUPACN-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN[C@@H](C)c1sc(CC)nc1C
InChIInChI=1S/C12H20N2S/c1-6-11-14-10(5)12(15-11)9(4)13-7-8(2)3/h9,13H,2,6-7H2,1,3-5H3/t9-/m0/s1
InChIKeyKTSQRQBFVKGOJS-VIFPVBQESA-N
MW224.37 g/mol
LogP3.24
Rot. Bonds5

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

N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 99629512) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID99629512
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN[C@@H](C)c1sc(CC)nc1C
InChIInChI=1S/C12H20N2S/c1-6-11-14-10(5)12(15-11)9(4)13-7-8(2)3/h9,13H,2,6-7H2,1,3-5H3/t9-/m0/s1
InChIKeyKTSQRQBFVKGOJS-VIFPVBQESA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.24
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-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine (CID 99629512) is N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CN[C@@H](C)c1sc(CC)nc1C.
What is the InChIKey of N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is KTSQRQBFVKGOJS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2S/c1-6-11-14-10(5)12(15-11)9(4)13-7-8(2)3/h9,13H,2,6-7H2,1,3-5H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine?
N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 99629512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).