[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine

C15H19BrN2S — CID 114361104

IUPAC[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc(Cc2cccc(Br)c2)sc1CN
InChIInChI=1S/C15H19BrN2S/c1-15(2,3)14-12(9-17)19-13(18-14)8-10-5-4-6-11(16)7-10/h4-7H,8-9,17H2,1-3H3
InChIKeyPUSKUZFJLDBAEY-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.25
Rot. Bonds3

About [2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine

[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361104) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine
PubChem CID114361104
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1nc(Cc2cccc(Br)c2)sc1CN
InChIInChI=1S/C15H19BrN2S/c1-15(2,3)14-12(9-17)19-13(18-14)8-10-5-4-6-11(16)7-10/h4-7H,8-9,17H2,1-3H3
InChIKeyPUSKUZFJLDBAEY-UHFFFAOYSA-N
XLogP4.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114360980
5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 62066857
2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole
CID 113415601
[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361101
[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361068
[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82438798
1-[2-[(3-bromophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368430
[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054774
4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole
CID 79832407
2-[(3-bromophenyl)methyl]-1,3-benzothiazol-6-amine
CID 66204024
[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
CID 82439357
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine (CID 114361104) is [2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine is CC(C)(C)c1nc(Cc2cccc(Br)c2)sc1CN.
What is the InChIKey of [2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is PUSKUZFJLDBAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-15(2,3)14-12(9-17)19-13(18-14)8-10-5-4-6-11(16)7-10/h4-7H,8-9,17H2,1-3H3.
What are the key properties of [2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine?
[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 339.30 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).