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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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).