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

C15H17BrN2S — CID 116885325

IUPAC3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
SMILESCc1ccc(Br)cc1-c1nc(C)c(C2CC(N)C2)s1
InChIInChI=1S/C15H17BrN2S/c1-8-3-4-11(16)7-13(8)15-18-9(2)14(19-15)10-5-12(17)6-10/h3-4,7,10,12H,5-6,17H2,1-2H3
InChIKeyYBILWABOIHBKAX-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.39
Rot. Bonds2

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

3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine (PubChem CID 116885325) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
PubChem CID116885325
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
SMILESCc1ccc(Br)cc1-c1nc(C)c(C2CC(N)C2)s1
InChIInChI=1S/C15H17BrN2S/c1-8-3-4-11(16)7-13(8)15-18-9(2)14(19-15)10-5-12(17)6-10/h3-4,7,10,12H,5-6,17H2,1-2H3
InChIKeyYBILWABOIHBKAX-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
CID 116885328
3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine
CID 116885333
2-amino-1-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116886738
3-[[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine
CID 116968580
2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-amine
CID 116864241
4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
CID 116892245
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773
1-(5-bromo-2-methylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 84604244
3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899170
2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885080
2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884518

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine (CID 116885325) is 3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine is Cc1ccc(Br)cc1-c1nc(C)c(C2CC(N)C2)s1.
What is the InChIKey of 3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine?
The InChIKey is YBILWABOIHBKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-8-3-4-11(16)7-13(8)15-18-9(2)14(19-15)10-5-12(17)6-10/h3-4,7,10,12H,5-6,17H2,1-2H3.
What are the key properties of 3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine?
3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine has a molecular weight of 337.29 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 116885325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).