2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole

C10H6BrFN2OS — CID 123780614

IUPAC2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole
SMILESO=NC(c1nccs1)c1cccc(Br)c1F
InChIInChI=1S/C10H6BrFN2OS/c11-7-3-1-2-6(8(7)12)9(14-15)10-13-4-5-16-10/h1-5,9H
InChIKeySYCWXNFDNKOKCW-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.90
Rot. Bonds3

About 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole

2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole (PubChem CID 123780614) has the molecular formula C10H6BrFN2OS and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole
PubChem CID123780614
Molecular FormulaC10H6BrFN2OS
Molecular Weight301.14 g/mol
Exact Mass299.94
IUPAC Name2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole
SMILESO=NC(c1nccs1)c1cccc(Br)c1F
InChIInChI=1S/C10H6BrFN2OS/c11-7-3-1-2-6(8(7)12)9(14-15)10-13-4-5-16-10/h1-5,9H
InChIKeySYCWXNFDNKOKCW-UHFFFAOYSA-N
XLogP3.90
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole?
The IUPAC name of 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole (CID 123780614) is 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole?
The canonical SMILES for 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole is O=NC(c1nccs1)c1cccc(Br)c1F.
What is the InChIKey of 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole?
The InChIKey is SYCWXNFDNKOKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2OS/c11-7-3-1-2-6(8(7)12)9(14-15)10-13-4-5-16-10/h1-5,9H.
What are the key properties of 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole?
2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole has a molecular weight of 301.14 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-fluorophenyl)-nitrosomethyl]-1,3-thiazole is sourced from PubChem (CID 123780614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).