2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine

C9H7Br2N3S — CID 102767891

IUPAC2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(Nc2cc(Br)ccc2Br)s1
InChIInChI=1S/C9H7Br2N3S/c10-5-1-2-6(11)7(3-5)14-9-13-4-8(12)15-9/h1-4H,12H2,(H,13,14)
InChIKeyIAWMCPNZJKWFSZ-UHFFFAOYSA-N
MW349.05 g/mol
LogP3.99
Rot. Bonds2

About 2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine

2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine (PubChem CID 102767891) has the molecular formula C9H7Br2N3S and a molecular weight of 349.05 g/mol. Its IUPAC name is 2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine
PubChem CID102767891
Molecular FormulaC9H7Br2N3S
Molecular Weight349.05 g/mol
Exact Mass346.87
IUPAC Name2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(Nc2cc(Br)ccc2Br)s1
InChIInChI=1S/C9H7Br2N3S/c10-5-1-2-6(11)7(3-5)14-9-13-4-8(12)15-9/h1-4H,12H2,(H,13,14)
InChIKeyIAWMCPNZJKWFSZ-UHFFFAOYSA-N
XLogP3.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.05
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine (CID 102767891) is 2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine is Nc1cnc(Nc2cc(Br)ccc2Br)s1.
What is the InChIKey of 2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine?
The InChIKey is IAWMCPNZJKWFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N3S/c10-5-1-2-6(11)7(3-5)14-9-13-4-8(12)15-9/h1-4H,12H2,(H,13,14).
What are the key properties of 2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine?
2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine has a molecular weight of 349.05 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dibromophenyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102767891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).