N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine

C15H12BrN3OS — CID 24765543

IUPACN-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Br)cc2Oc2ccccc2)n1
InChIInChI=1S/C15H12BrN3OS/c1-10-9-21-15(18-10)19-14-13(7-11(16)8-17-14)20-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18,19)
InChIKeyXRFBFVJFPOWVBV-UHFFFAOYSA-N
MW362.25 g/mol
LogP5.14
Rot. Bonds4

About N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine

N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 24765543) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID24765543
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC NameN-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Br)cc2Oc2ccccc2)n1
InChIInChI=1S/C15H12BrN3OS/c1-10-9-21-15(18-10)19-14-13(7-11(16)8-17-14)20-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18,19)
InChIKeyXRFBFVJFPOWVBV-UHFFFAOYSA-N
XLogP5.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.25
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine (CID 24765543) is N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(Br)cc2Oc2ccccc2)n1.
What is the InChIKey of N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is XRFBFVJFPOWVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-10-9-21-15(18-10)19-14-13(7-11(16)8-17-14)20-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 362.25 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 24765543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).