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

C15H19BrN2S — CID 107577223

IUPAC5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
SMILESCc1cc(Br)cc(Cc2sc(N)nc2C(C)(C)C)c1
InChIInChI=1S/C15H19BrN2S/c1-9-5-10(7-11(16)6-9)8-12-13(15(2,3)4)18-14(17)19-12/h5-7H,8H2,1-4H3,(H2,17,18)
InChIKeyKEXZWIPTSAMITR-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.68
Rot. Bonds2

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

5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine (PubChem CID 107577223) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
PubChem CID107577223
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
SMILESCc1cc(Br)cc(Cc2sc(N)nc2C(C)(C)C)c1
InChIInChI=1S/C15H19BrN2S/c1-9-5-10(7-11(16)6-9)8-12-13(15(2,3)4)18-14(17)19-12/h5-7H,8H2,1-4H3,(H2,17,18)
InChIKeyKEXZWIPTSAMITR-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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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine (CID 107577223) is 5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine is Cc1cc(Br)cc(Cc2sc(N)nc2C(C)(C)C)c1.
What is the InChIKey of 5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is KEXZWIPTSAMITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-9-5-10(7-11(16)6-9)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-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
5-[(3-bromo-5-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-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107577223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).