4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine

C14H15BrN2O2S — CID 1482780

IUPAC4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine
SMILESBrc1ccc(Oc2ncc(CN3CCOCC3)s2)cc1
InChIInChI=1S/C14H15BrN2O2S/c15-11-1-3-12(4-2-11)19-14-16-9-13(20-14)10-17-5-7-18-8-6-17/h1-4,9H,5-8,10H2
InChIKeyKVUVSNHAFFHHHH-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.53
Rot. Bonds4

About 4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine

4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine (PubChem CID 1482780) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine
PubChem CID1482780
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine
SMILESBrc1ccc(Oc2ncc(CN3CCOCC3)s2)cc1
InChIInChI=1S/C14H15BrN2O2S/c15-11-1-3-12(4-2-11)19-14-16-9-13(20-14)10-17-5-7-18-8-6-17/h1-4,9H,5-8,10H2
InChIKeyKVUVSNHAFFHHHH-UHFFFAOYSA-N
XLogP3.53
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine (CID 1482780) is 4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine is Brc1ccc(Oc2ncc(CN3CCOCC3)s2)cc1.
What is the InChIKey of 4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
The InChIKey is KVUVSNHAFFHHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c15-11-1-3-12(4-2-11)19-14-16-9-13(20-14)10-17-5-7-18-8-6-17/h1-4,9H,5-8,10H2.
What are the key properties of 4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine?
4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine has a molecular weight of 355.26 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromophenoxy)-1,3-thiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 1482780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).