(1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine

C13H15BrN2OS — CID 124625282

IUPAC(1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine
SMILESC[C@H](N[C@@H](c1nccs1)C1CC1)c1ccc(Br)o1
InChIInChI=1S/C13H15BrN2OS/c1-8(10-4-5-11(14)17-10)16-12(9-2-3-9)13-15-6-7-18-13/h4-9,12,16H,2-3H2,1H3/t8-,12+/m0/s1
InChIKeyLFNIXJMWPSWJLE-QPUJVOFHSA-N
MW327.25 g/mol
LogP4.30
Rot. Bonds5

About (1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine

(1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 124625282) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is (1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID124625282
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name(1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine
SMILESC[C@H](N[C@@H](c1nccs1)C1CC1)c1ccc(Br)o1
InChIInChI=1S/C13H15BrN2OS/c1-8(10-4-5-11(14)17-10)16-12(9-2-3-9)13-15-6-7-18-13/h4-9,12,16H,2-3H2,1H3/t8-,12+/m0/s1
InChIKeyLFNIXJMWPSWJLE-QPUJVOFHSA-N
XLogP4.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine (CID 124625282) is (1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine is C[C@H](N[C@@H](c1nccs1)C1CC1)c1ccc(Br)o1.
What is the InChIKey of (1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is LFNIXJMWPSWJLE-QPUJVOFHSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-8(10-4-5-11(14)17-10)16-12(9-2-3-9)13-15-6-7-18-13/h4-9,12,16H,2-3H2,1H3/t8-,12+/m0/s1.
What are the key properties of (1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine?
(1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 327.25 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromofuran-2-yl)-N-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 124625282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).