1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine

C14H16N2S — CID 64542652

IUPAC1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C14H16N2S/c1-10(15)12-9-17-13(16-12)14(7-8-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3
InChIKeyYFGVYPDDKLWYHQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.24
Rot. Bonds3

About 1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine

1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64542652) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64542652
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C14H16N2S/c1-10(15)12-9-17-13(16-12)14(7-8-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3
InChIKeyYFGVYPDDKLWYHQ-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-2-thiazoleethanamine
CID 1497794
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
CID 16192921
(2-Phenyl-1,3-thiazol-4-yl)methanamine
CID 736526
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
CID 95338888
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
CID 135313717
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine
CID 600157
2-(4-Phenyl-1,3-thiazol-2-yl)ethanamine;hydrobromide
CID 127046714
N-Methyl-N-[3-(2-methyl-1,3-thiazol-4-YL)benzyl]amine
CID 7060568
2-(2-Phenyl-thiazol-4-yl)-ethylamine
CID 22690260
2-(2-(4-Methylphenyl)-1,3-thiazol-4-yl)ethan-1-amine
CID 3799257
(4-(2-Fluorophenyl)-1,3-thiazol-2-yl)methanamine
CID 4011780

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine (CID 64542652) is 1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(C2(c3ccccc3)CC2)n1.
What is the InChIKey of 1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is YFGVYPDDKLWYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10(15)12-9-17-13(16-12)14(7-8-14)11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3.
What are the key properties of 1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 244.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenylcyclopropyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64542652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).