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

C14H17BrN2S — CID 62066857

IUPAC5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1cccc(Br)c1
InChIInChI=1S/C14H17BrN2S/c1-14(2,3)12-11(18-13(16)17-12)8-9-5-4-6-10(15)7-9/h4-7H,8H2,1-3H3,(H2,16,17)
InChIKeyLKNDKBDWQHWERO-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.38
Rot. Bonds2

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

5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine (PubChem CID 62066857) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
PubChem CID62066857
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1cccc(Br)c1
InChIInChI=1S/C14H17BrN2S/c1-14(2,3)12-11(18-13(16)17-12)8-9-5-4-6-10(15)7-9/h4-7H,8H2,1-3H3,(H2,16,17)
InChIKeyLKNDKBDWQHWERO-UHFFFAOYSA-N
XLogP4.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 114223006
5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 107577223
[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine
CID 114361104
5-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-1,3-thiazol-2-amine;bromobenzene
CID 174956679
5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 63399247
4-[(2-amino-4-tert-butyl-1,3-thiazol-5-yl)methyl]benzene-1,2-dicarbonitrile
CID 107792605
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 141216793
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
4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 141228989
2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole
CID 113415601
2-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798841

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine (CID 62066857) is 5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine is CC(C)(C)c1nc(N)sc1Cc1cccc(Br)c1.
What is the InChIKey of 5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is LKNDKBDWQHWERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-14(2,3)12-11(18-13(16)17-12)8-9-5-4-6-10(15)7-9/h4-7H,8H2,1-3H3,(H2,16,17).
What are the key properties of 5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 325.28 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62066857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).