5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine

C13H15BrN2S — CID 116864269

IUPAC5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine
SMILESCC(C)(C)c1ccc(-c2nc(N)c(Br)s2)cc1
InChIInChI=1S/C13H15BrN2S/c1-13(2,3)9-6-4-8(5-7-9)12-16-11(15)10(14)17-12/h4-7H,15H2,1-3H3
InChIKeyMBILAWYSBDWFKR-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.45
Rot. Bonds1

About 5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine

5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine (PubChem CID 116864269) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine
PubChem CID116864269
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine
SMILESCC(C)(C)c1ccc(-c2nc(N)c(Br)s2)cc1
InChIInChI=1S/C13H15BrN2S/c1-13(2,3)9-6-4-8(5-7-9)12-16-11(15)10(14)17-12/h4-7H,15H2,1-3H3
InChIKeyMBILAWYSBDWFKR-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine?
The IUPAC name of 5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine (CID 116864269) is 5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine is CC(C)(C)c1ccc(-c2nc(N)c(Br)s2)cc1.
What is the InChIKey of 5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine?
The InChIKey is MBILAWYSBDWFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-13(2,3)9-6-4-8(5-7-9)12-16-11(15)10(14)17-12/h4-7H,15H2,1-3H3.
What are the key properties of 5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine?
5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine has a molecular weight of 311.25 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 116864269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).