5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine

C13H15BrN2S — CID 112695253

IUPAC5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine
SMILESCc1ccc(CC(C)Nc2cncc(Br)c2)s1
InChIInChI=1S/C13H15BrN2S/c1-9(5-13-4-3-10(2)17-13)16-12-6-11(14)7-15-8-12/h3-4,6-9,16H,5H2,1-2H3
InChIKeyIYXKGESVJIPEBZ-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.26
Rot. Bonds4

About 5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine

5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine (PubChem CID 112695253) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine
PubChem CID112695253
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine
SMILESCc1ccc(CC(C)Nc2cncc(Br)c2)s1
InChIInChI=1S/C13H15BrN2S/c1-9(5-13-4-3-10(2)17-13)16-12-6-11(14)7-15-8-12/h3-4,6-9,16H,5H2,1-2H3
InChIKeyIYXKGESVJIPEBZ-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
CID 113243712
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 115657686
5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 115922260
5-bromo-N-hex-5-en-2-ylpyridin-3-amine
CID 104583994
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
CID 83064073
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
CID 115657159
5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine
CID 115744781
2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 80836637
3-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]triazol-4-amine
CID 114222537
5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
CID 107874721
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 130486029

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine (CID 112695253) is 5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine is Cc1ccc(CC(C)Nc2cncc(Br)c2)s1.
What is the InChIKey of 5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine?
The InChIKey is IYXKGESVJIPEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9(5-13-4-3-10(2)17-13)16-12-6-11(14)7-15-8-12/h3-4,6-9,16H,5H2,1-2H3.
What are the key properties of 5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine?
5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine has a molecular weight of 311.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-3-amine is sourced from PubChem (CID 112695253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).