5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine

C12H12BrClN2S — CID 103582447

IUPAC5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1ccsc1)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C12H12BrClN2S/c1-8(4-9-2-3-17-7-9)16-12-11(14)5-10(13)6-15-12/h2-3,5-8H,4H2,1H3,(H,15,16)
InChIKeyREPSELBCFGDJGQ-UHFFFAOYSA-N
MW331.67 g/mol
LogP4.60
Rot. Bonds4

About 5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine

5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine (PubChem CID 103582447) has the molecular formula C12H12BrClN2S and a molecular weight of 331.67 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
PubChem CID103582447
Molecular FormulaC12H12BrClN2S
Molecular Weight331.67 g/mol
Exact Mass329.96
IUPAC Name5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cc1ccsc1)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C12H12BrClN2S/c1-8(4-9-2-3-17-7-9)16-12-11(14)5-10(13)6-15-12/h2-3,5-8H,4H2,1H3,(H,15,16)
InChIKeyREPSELBCFGDJGQ-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.67
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine
CID 103582511
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2,6-diamine
CID 102756935
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61223337
3-bromo-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 79534973
5-bromo-2-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 62176839
4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 63420478
5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681252
5-bromo-3-chloro-N-(1-ethylsulfanylpropan-2-yl)pyridin-2-amine
CID 103582641
5-bromo-3-chloro-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681216
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine (CID 103582447) is 5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine is CC(Cc1ccsc1)Nc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is REPSELBCFGDJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S/c1-8(4-9-2-3-17-7-9)16-12-11(14)5-10(13)6-15-12/h2-3,5-8H,4H2,1H3,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine?
5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 331.67 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 103582447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).