[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine

C14H17BrN2S — CID 84606541

IUPAC[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
SMILESCC(C)Cc1ccc(-c2sc(CN)nc2Br)cc1
InChIInChI=1S/C14H17BrN2S/c1-9(2)7-10-3-5-11(6-4-10)13-14(15)17-12(8-16)18-13/h3-6,9H,7-8,16H2,1-2H3
InChIKeyHUMRUDQAXQVPQJ-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.23
Rot. Bonds4

About [4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine

[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 84606541) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is [4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
PubChem CID84606541
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
SMILESCC(C)Cc1ccc(-c2sc(CN)nc2Br)cc1
InChIInChI=1S/C14H17BrN2S/c1-9(2)7-10-3-5-11(6-4-10)13-14(15)17-12(8-16)18-13/h3-6,9H,7-8,16H2,1-2H3
InChIKeyHUMRUDQAXQVPQJ-UHFFFAOYSA-N
XLogP4.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 116868361
[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine
CID 84605016
[4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 84606543
(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 83850515
2-[3-[4-(2-methylpropyl)phenyl]propyl]-5-phenyl-1,3-thiazol-4-ol
CID 67921141
4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole
CID 116887615
2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile
CID 82483133
2-methyl-5-[4-(2-methylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510621
1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
CID 145150198
[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
CID 95474586
[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 39360934
[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
CID 82478232

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine (CID 84606541) is [4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine is CC(C)Cc1ccc(-c2sc(CN)nc2Br)cc1.
What is the InChIKey of [4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is HUMRUDQAXQVPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-9(2)7-10-3-5-11(6-4-10)13-14(15)17-12(8-16)18-13/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of [4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine?
[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 325.28 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 84606541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).