4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine

C13H8Br2N2S — CID 81259901

IUPAC4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine
SMILESBrc1ccc2cc(Nc3nc(Br)cs3)ccc2c1
InChIInChI=1S/C13H8Br2N2S/c14-10-3-1-9-6-11(4-2-8(9)5-10)16-13-17-12(15)7-18-13/h1-7H,(H,16,17)
InChIKeyMIPSGXFAUYWMGU-UHFFFAOYSA-N
MW384.10 g/mol
LogP5.56
Rot. Bonds2

About 4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine

4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine (PubChem CID 81259901) has the molecular formula C13H8Br2N2S and a molecular weight of 384.10 g/mol. Its IUPAC name is 4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine
PubChem CID81259901
Molecular FormulaC13H8Br2N2S
Molecular Weight384.10 g/mol
Exact Mass381.88
IUPAC Name4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine
SMILESBrc1ccc2cc(Nc3nc(Br)cs3)ccc2c1
InChIInChI=1S/C13H8Br2N2S/c14-10-3-1-9-6-11(4-2-8(9)5-10)16-13-17-12(15)7-18-13/h1-7H,(H,16,17)
InChIKeyMIPSGXFAUYWMGU-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.10
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine (CID 81259901) is 4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine is Brc1ccc2cc(Nc3nc(Br)cs3)ccc2c1.
What is the InChIKey of 4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is MIPSGXFAUYWMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2S/c14-10-3-1-9-6-11(4-2-8(9)5-10)16-13-17-12(15)7-18-13/h1-7H,(H,16,17).
What are the key properties of 4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine?
4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 384.10 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-bromonaphthalen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 81259901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).