5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine

C13H16BrN3S — CID 114223006

IUPAC5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1cncc(Br)c1
InChIInChI=1S/C13H16BrN3S/c1-13(2,3)11-10(18-12(15)17-11)5-8-4-9(14)7-16-6-8/h4,6-7H,5H2,1-3H3,(H2,15,17)
InChIKeyJYWAWZDQZBQQAQ-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.77
Rot. Bonds2

About 5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine

5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine (PubChem CID 114223006) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
PubChem CID114223006
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1cncc(Br)c1
InChIInChI=1S/C13H16BrN3S/c1-13(2,3)11-10(18-12(15)17-11)5-8-4-9(14)7-16-6-8/h4,6-7H,5H2,1-3H3,(H2,15,17)
InChIKeyJYWAWZDQZBQQAQ-UHFFFAOYSA-N
XLogP3.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine (CID 114223006) is 5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine is CC(C)(C)c1nc(N)sc1Cc1cncc(Br)c1.
What is the InChIKey of 5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is JYWAWZDQZBQQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-13(2,3)11-10(18-12(15)17-11)5-8-4-9(14)7-16-6-8/h4,6-7H,5H2,1-3H3,(H2,15,17).
What are the key properties of 5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 326.26 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114223006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).