4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole

C14H10BrNOS — CID 54942438

IUPAC4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole
SMILESBrc1ccc2cc(OCc3cscn3)ccc2c1
InChIInChI=1S/C14H10BrNOS/c15-12-3-1-11-6-14(4-2-10(11)5-12)17-7-13-8-18-9-16-13/h1-6,8-9H,7H2
InChIKeyMEDGJHFYDLOBFK-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.64
Rot. Bonds3

About 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole

4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole (PubChem CID 54942438) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole
PubChem CID54942438
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole
SMILESBrc1ccc2cc(OCc3cscn3)ccc2c1
InChIInChI=1S/C14H10BrNOS/c15-12-3-1-11-6-14(4-2-10(11)5-12)17-7-13-8-18-9-16-13/h1-6,8-9H,7H2
InChIKeyMEDGJHFYDLOBFK-UHFFFAOYSA-N
XLogP4.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole?
The IUPAC name of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole (CID 54942438) is 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole is Brc1ccc2cc(OCc3cscn3)ccc2c1.
What is the InChIKey of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole?
The InChIKey is MEDGJHFYDLOBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c15-12-3-1-11-6-14(4-2-10(11)5-12)17-7-13-8-18-9-16-13/h1-6,8-9H,7H2.
What are the key properties of 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole?
4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole has a molecular weight of 320.21 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 54942438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).