(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine

C5H7BrN2S — CID 96955798

IUPAC(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
SMILESC[C@H](N)c1cnc(Br)s1
InChIInChI=1S/C5H7BrN2S/c1-3(7)4-2-8-5(6)9-4/h2-3H,7H2,1H3/t3-/m0/s1
InChIKeyAWDPFAXSDDIYEH-VKHMYHEASA-N
MW207.10 g/mol
LogP1.93
Rot. Bonds1

About (1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine

(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine (PubChem CID 96955798) has the molecular formula C5H7BrN2S and a molecular weight of 207.10 g/mol. Its IUPAC name is (1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
PubChem CID96955798
Molecular FormulaC5H7BrN2S
Molecular Weight207.10 g/mol
Exact Mass205.95
IUPAC Name(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
SMILESC[C@H](N)c1cnc(Br)s1
InChIInChI=1S/C5H7BrN2S/c1-3(7)4-2-8-5(6)9-4/h2-3H,7H2,1H3/t3-/m0/s1
InChIKeyAWDPFAXSDDIYEH-VKHMYHEASA-N
XLogP1.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine (CID 96955798) is (1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine is C[C@H](N)c1cnc(Br)s1.
What is the InChIKey of (1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine?
The InChIKey is AWDPFAXSDDIYEH-VKHMYHEASA-N. The full InChI is InChI=1S/C5H7BrN2S/c1-3(7)4-2-8-5(6)9-4/h2-3H,7H2,1H3/t3-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine?
(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine has a molecular weight of 207.10 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 96955798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).