6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine

C16H13BrN2OS — CID 43300975

IUPAC6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCc2ccc(-c3ccc(Br)cc3)o2)nc1
InChIInChI=1S/C16H13BrN2OS/c17-12-3-1-11(2-4-12)15-7-6-14(20-15)10-21-16-8-5-13(18)9-19-16/h1-9H,10,18H2
InChIKeyQNHKDCJZEGYANT-UHFFFAOYSA-N
MW361.26 g/mol
LogP4.98
Rot. Bonds4

About 6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine

6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine (PubChem CID 43300975) has the molecular formula C16H13BrN2OS and a molecular weight of 361.26 g/mol. Its IUPAC name is 6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
PubChem CID43300975
Molecular FormulaC16H13BrN2OS
Molecular Weight361.26 g/mol
Exact Mass359.99
IUPAC Name6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCc2ccc(-c3ccc(Br)cc3)o2)nc1
InChIInChI=1S/C16H13BrN2OS/c17-12-3-1-11(2-4-12)15-7-6-14(20-15)10-21-16-8-5-13(18)9-19-16/h1-9H,10,18H2
InChIKeyQNHKDCJZEGYANT-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

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Related Compounds

4-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine
CID 43299577
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propan-1-amine
CID 66220072
3-[5-(4-bromophenyl)furan-2-yl]propan-1-amine
CID 170878277
6-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]pyridin-3-amine
CID 63021346
6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 54971788
6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 43301491
2-[(5-bromo-2-pyridinyl)sulfanylmethyl]-4-chloroaniline
CID 79582688
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66103561
1-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]butan-2-amine
CID 66230095
6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 43301251
3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propane-1,2-diol
CID 79682209
2-[(5-bromo-2-pyridinyl)sulfanylmethyl]pyridin-4-amine
CID 79260174

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine (CID 43300975) is 6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine is Nc1ccc(SCc2ccc(-c3ccc(Br)cc3)o2)nc1.
What is the InChIKey of 6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine?
The InChIKey is QNHKDCJZEGYANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2OS/c17-12-3-1-11(2-4-12)15-7-6-14(20-15)10-21-16-8-5-13(18)9-19-16/h1-9H,10,18H2.
What are the key properties of 6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine?
6-[[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 6-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).