N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine

C14H10BrN3S — CID 5329396

IUPACN-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine
SMILESBrc1cccc(Nc2ncc(-c3ccccc3)s2)n1
InChIInChI=1S/C14H10BrN3S/c15-12-7-4-8-13(17-12)18-14-16-9-11(19-14)10-5-2-1-3-6-10/h1-9H,(H,16,17,18)
InChIKeyNDYGPMFQINTRLH-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.71
Rot. Bonds3

About N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine

N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine (PubChem CID 5329396) has the molecular formula C14H10BrN3S and a molecular weight of 332.23 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine
PubChem CID5329396
Molecular FormulaC14H10BrN3S
Molecular Weight332.23 g/mol
Exact Mass330.98
IUPAC NameN-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine
SMILESBrc1cccc(Nc2ncc(-c3ccccc3)s2)n1
InChIInChI=1S/C14H10BrN3S/c15-12-7-4-8-13(17-12)18-14-16-9-11(19-14)10-5-2-1-3-6-10/h1-9H,(H,16,17,18)
InChIKeyNDYGPMFQINTRLH-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine (CID 5329396) is N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine is Brc1cccc(Nc2ncc(-c3ccccc3)s2)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is NDYGPMFQINTRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3S/c15-12-7-4-8-13(17-12)18-14-16-9-11(19-14)10-5-2-1-3-6-10/h1-9H,(H,16,17,18).
What are the key properties of N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine?
N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 332.23 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 5329396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).