(E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine

C16H20N2S — CID 112696883

IUPAC(E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine
SMILESCCc1cnc(C(C)NC/C=C/c2ccccc2)s1
InChIInChI=1S/C16H20N2S/c1-3-15-12-18-16(19-15)13(2)17-11-7-10-14-8-5-4-6-9-14/h4-10,12-13,17H,3,11H2,1-2H3/b10-7+
InChIKeyRIBBEWNAUNHZFG-JXMROGBWSA-N
MW272.42 g/mol
LogP4.07
Rot. Bonds6

About (E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine

(E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine (PubChem CID 112696883) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is (E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine
PubChem CID112696883
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name(E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine
SMILESCCc1cnc(C(C)NC/C=C/c2ccccc2)s1
InChIInChI=1S/C16H20N2S/c1-3-15-12-18-16(19-15)13(2)17-11-7-10-14-8-5-4-6-9-14/h4-10,12-13,17H,3,11H2,1-2H3/b10-7+
InChIKeyRIBBEWNAUNHZFG-JXMROGBWSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
1-(5-ethyl-1,3-thiazol-2-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 115679712
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
1-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929836
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
CID 81408581
N-[(3,5-dimethylphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 112696879
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine
CID 106579895
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-1-amine
CID 115904938
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 112640133

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine (CID 112696883) is (E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine is CCc1cnc(C(C)NC/C=C/c2ccccc2)s1.
What is the InChIKey of (E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine?
The InChIKey is RIBBEWNAUNHZFG-JXMROGBWSA-N. The full InChI is InChI=1S/C16H20N2S/c1-3-15-12-18-16(19-15)13(2)17-11-7-10-14-8-5-4-6-9-14/h4-10,12-13,17H,3,11H2,1-2H3/b10-7+.
What are the key properties of (E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine?
(E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine has a molecular weight of 272.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 112696883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).