N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine

C19H20BrN3OS — CID 16660844

IUPACN-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)Cc1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1
InChIInChI=1S/C19H20BrN3OS/c1-13(2)8-16-12-25-19(22-16)23-18-17(9-15(20)10-21-18)24-11-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,22,23)
InChIKeyAZHQCRYKKFEFTI-UHFFFAOYSA-N
MW418.36 g/mol
LogP5.82
Rot. Bonds7

About N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine

N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 16660844) has the molecular formula C19H20BrN3OS and a molecular weight of 418.36 g/mol. Its IUPAC name is N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID16660844
Molecular FormulaC19H20BrN3OS
Molecular Weight418.36 g/mol
Exact Mass417.05
IUPAC NameN-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)Cc1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1
InChIInChI=1S/C19H20BrN3OS/c1-13(2)8-16-12-25-19(22-16)23-18-17(9-15(20)10-21-18)24-11-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,22,23)
InChIKeyAZHQCRYKKFEFTI-UHFFFAOYSA-N
XLogP5.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 55.82
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-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine (CID 16660844) is N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine is CC(C)Cc1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1.
What is the InChIKey of N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is AZHQCRYKKFEFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3OS/c1-13(2)8-16-12-25-19(22-16)23-18-17(9-15(20)10-21-18)24-11-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,22,23).
What are the key properties of N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine?
N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 418.36 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-phenylmethoxy-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 16660844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).