4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine

C14H10Cl2N2OS — CID 83167719

IUPAC4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine
SMILESClc1ccc(C(Nc2cnccc2Cl)c2ccco2)s1
InChIInChI=1S/C14H10Cl2N2OS/c15-9-5-6-17-8-10(9)18-14(11-2-1-7-19-11)12-3-4-13(16)20-12/h1-8,14,18H
InChIKeyAPJFMHCDVQOFBN-UHFFFAOYSA-N
MW325.22 g/mol
LogP5.24
Rot. Bonds4

About 4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine

4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine (PubChem CID 83167719) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine
PubChem CID83167719
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine
SMILESClc1ccc(C(Nc2cnccc2Cl)c2ccco2)s1
InChIInChI=1S/C14H10Cl2N2OS/c15-9-5-6-17-8-10(9)18-14(11-2-1-7-19-11)12-3-4-13(16)20-12/h1-8,14,18H
InChIKeyAPJFMHCDVQOFBN-UHFFFAOYSA-N
XLogP5.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.22
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline
CID 43760360
4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine
CID 83167393
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine
CID 43776692
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclopentanamine
CID 43756508
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-ethylaniline
CID 43764328
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]cyclohexanamine
CID 43756023
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 61324706
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-3-ethylaniline
CID 43765153
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]but-3-yn-2-amine
CID 114415106
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine (CID 83167719) is 4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine is Clc1ccc(C(Nc2cnccc2Cl)c2ccco2)s1.
What is the InChIKey of 4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine?
The InChIKey is APJFMHCDVQOFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c15-9-5-6-17-8-10(9)18-14(11-2-1-7-19-11)12-3-4-13(16)20-12/h1-8,14,18H.
What are the key properties of 4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine?
4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine has a molecular weight of 325.22 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 83167719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).