N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine

C15H18Br2N2S — CID 105036582

IUPACN-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1cc(C)c(Br)s1
InChIInChI=1S/C15H18Br2N2S/c1-3-4-19-13(14-5-10(2)15(17)20-14)7-11-6-12(16)9-18-8-11/h5-6,8-9,13,19H,3-4,7H2,1-2H3
InChIKeyYHLZSVHPYKWXAM-UHFFFAOYSA-N
MW418.20 g/mol
LogP5.26
Rot. Bonds6

About N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine

N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 105036582) has the molecular formula C15H18Br2N2S and a molecular weight of 418.20 g/mol. Its IUPAC name is N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
PubChem CID105036582
Molecular FormulaC15H18Br2N2S
Molecular Weight418.20 g/mol
Exact Mass415.96
IUPAC NameN-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1cc(C)c(Br)s1
InChIInChI=1S/C15H18Br2N2S/c1-3-4-19-13(14-5-10(2)15(17)20-14)7-11-6-12(16)9-18-8-11/h5-6,8-9,13,19H,3-4,7H2,1-2H3
InChIKeyYHLZSVHPYKWXAM-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.20
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
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N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
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N-[2-(5-bromo-3-pyridinyl)-1-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
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N-[2-(5-bromo-3-pyridinyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
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N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(2-chloro-4-methylphenyl)ethyl]propan-1-amine
CID 106867945
N-[2-(5-bromo-3-pyridinyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 113455089
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 107892569
N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 104801443
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
N-[2-(5-bromo-3-pyridinyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine (CID 105036582) is N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1cncc(Br)c1)c1cc(C)c(Br)s1.
What is the InChIKey of N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is YHLZSVHPYKWXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2S/c1-3-4-19-13(14-5-10(2)15(17)20-14)7-11-6-12(16)9-18-8-11/h5-6,8-9,13,19H,3-4,7H2,1-2H3.
What are the key properties of N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine?
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 418.20 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105036582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).