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

C15H17BrN2S — CID 116968580

IUPAC3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine
SMILESCc1ccc(Br)cc1-c1csc(CC2CC(N)C2)n1
InChIInChI=1S/C15H17BrN2S/c1-9-2-3-11(16)7-13(9)14-8-19-15(18-14)6-10-4-12(17)5-10/h2-3,7-8,10,12H,4-6,17H2,1H3
InChIKeyBVZWBBXSBBPWFM-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.16
Rot. Bonds3

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

3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine (PubChem CID 116968580) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine
PubChem CID116968580
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine
SMILESCc1ccc(Br)cc1-c1csc(CC2CC(N)C2)n1
InChIInChI=1S/C15H17BrN2S/c1-9-2-3-11(16)7-13(9)14-8-19-15(18-14)6-10-4-12(17)5-10/h2-3,7-8,10,12H,4-6,17H2,1H3
InChIKeyBVZWBBXSBBPWFM-UHFFFAOYSA-N
XLogP4.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967689
3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
CID 116885325
2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773
2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine
CID 5207559
2-[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865217
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
4-(5-bromo-2-fluorophenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 82967016
2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-amine
CID 116864241
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82966778
O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39351081
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
cis-methyl (1R,3S)-3-[[4-[2-[(4-bromo-2-methylphenyl)methoxy]-5-methylphenyl]-1,3-thiazol-2-yl]methyl]cyclopentane-1-carboxylate
CID 160646243

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine (CID 116968580) is 3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine is Cc1ccc(Br)cc1-c1csc(CC2CC(N)C2)n1.
What is the InChIKey of 3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine?
The InChIKey is BVZWBBXSBBPWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-9-2-3-11(16)7-13(9)14-8-19-15(18-14)6-10-4-12(17)5-10/h2-3,7-8,10,12H,4-6,17H2,1H3.
What are the key properties of 3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine?
3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine has a molecular weight of 337.29 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 116968580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).