[2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine

C10H8BrClN2OS — CID 117258711

IUPAC[2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(Oc2ccccc2Br)nc1Cl
InChIInChI=1S/C10H8BrClN2OS/c11-6-3-1-2-4-7(6)15-10-14-9(12)8(5-13)16-10/h1-4H,5,13H2
InChIKeyAYJHBBGMHLANIK-UHFFFAOYSA-N
MW319.61 g/mol
LogP3.81
Rot. Bonds3

About [2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine

[2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine (PubChem CID 117258711) has the molecular formula C10H8BrClN2OS and a molecular weight of 319.61 g/mol. Its IUPAC name is [2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine
PubChem CID117258711
Molecular FormulaC10H8BrClN2OS
Molecular Weight319.61 g/mol
Exact Mass317.92
IUPAC Name[2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(Oc2ccccc2Br)nc1Cl
InChIInChI=1S/C10H8BrClN2OS/c11-6-3-1-2-4-7(6)15-10-14-9(12)8(5-13)16-10/h1-4H,5,13H2
InChIKeyAYJHBBGMHLANIK-UHFFFAOYSA-N
XLogP3.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine (CID 117258711) is [2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine is NCc1sc(Oc2ccccc2Br)nc1Cl.
What is the InChIKey of [2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine?
The InChIKey is AYJHBBGMHLANIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2OS/c11-6-3-1-2-4-7(6)15-10-14-9(12)8(5-13)16-10/h1-4H,5,13H2.
What are the key properties of [2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine?
[2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine has a molecular weight of 319.61 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 117258711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).