4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine

C16H13BrN2OS — CID 43299577

IUPAC4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H13BrN2OS/c17-12-3-1-11(2-4-12)15-6-5-13(20-15)10-21-16-7-8-19-9-14(16)18/h1-9H,10,18H2
InChIKeyQDUMTXPRRMDMCP-UHFFFAOYSA-N
MW361.26 g/mol
LogP4.98
Rot. Bonds4

About 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine

4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine (PubChem CID 43299577) has the molecular formula C16H13BrN2OS and a molecular weight of 361.26 g/mol. Its IUPAC name is 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
PubChem CID43299577
Molecular FormulaC16H13BrN2OS
Molecular Weight361.26 g/mol
Exact Mass359.99
IUPAC Name4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H13BrN2OS/c17-12-3-1-11(2-4-12)15-6-5-13(20-15)10-21-16-7-8-19-9-14(16)18/h1-9H,10,18H2
InChIKeyQDUMTXPRRMDMCP-UHFFFAOYSA-N
XLogP4.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
CID 43300975
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine
CID 66220072
1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine
CID 66230095
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol
CID 79682209
5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline
CID 43306013
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66103561
4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300126
4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine
CID 107306654
4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 66142138
3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
4-[(4-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43299910

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine (CID 43299577) is 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine is Nc1cnccc1SCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine?
The InChIKey is QDUMTXPRRMDMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2OS/c17-12-3-1-11(2-4-12)15-6-5-13(20-15)10-21-16-7-8-19-9-14(16)18/h1-9H,10,18H2.
What are the key properties of 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine?
4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine has a molecular weight of 361.26 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43299577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).