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

C15H19BrN2S — CID 63399247

IUPAC5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
SMILESCc1ccc(Br)cc1Cc1sc(N)nc1C(C)(C)C
InChIInChI=1S/C15H19BrN2S/c1-9-5-6-11(16)7-10(9)8-12-13(15(2,3)4)18-14(17)19-12/h5-7H,8H2,1-4H3,(H2,17,18)
InChIKeyBPEJVZSGAPOOTB-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.68
Rot. Bonds2

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

5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine (PubChem CID 63399247) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
PubChem CID63399247
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
SMILESCc1ccc(Br)cc1Cc1sc(N)nc1C(C)(C)C
InChIInChI=1S/C15H19BrN2S/c1-9-5-6-11(16)7-10(9)8-12-13(15(2,3)4)18-14(17)19-12/h5-7H,8H2,1-4H3,(H2,17,18)
InChIKeyBPEJVZSGAPOOTB-UHFFFAOYSA-N
XLogP4.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 82766257
5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 62066857
5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 107577223
5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 114223006
4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 107530840
4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 141228989
4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62066478
4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62064846
4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 66250380
5-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-1,3-thiazol-2-amine;bromobenzene
CID 174956679
5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 107602467
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 141216793

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine (CID 63399247) is 5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine is Cc1ccc(Br)cc1Cc1sc(N)nc1C(C)(C)C.
What is the InChIKey of 5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is BPEJVZSGAPOOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-9-5-6-11(16)7-10(9)8-12-13(15(2,3)4)18-14(17)19-12/h5-7H,8H2,1-4H3,(H2,17,18).
What are the key properties of 5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 339.30 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63399247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).