5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine

C16H15N3S — CID 57330006

IUPAC5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine
SMILESc1cn(C(c2ccc(-c3ccsc3)nc2)C2CC2)cn1
InChIInChI=1S/C16H15N3S/c1-2-12(1)16(19-7-6-17-11-19)13-3-4-15(18-9-13)14-5-8-20-10-14/h3-12,16H,1-2H2
InChIKeyKIMDFMHBHQIIJZ-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.01
Rot. Bonds4

About 5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine

5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine (PubChem CID 57330006) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine.

Molecular Properties

Compound Name5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine
PubChem CID57330006
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine
SMILESc1cn(C(c2ccc(-c3ccsc3)nc2)C2CC2)cn1
InChIInChI=1S/C16H15N3S/c1-2-12(1)16(19-7-6-17-11-19)13-3-4-15(18-9-13)14-5-8-20-10-14/h3-12,16H,1-2H2
InChIKeyKIMDFMHBHQIIJZ-UHFFFAOYSA-N
XLogP4.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine?
The IUPAC name of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine (CID 57330006) is 5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine.
What is the SMILES notation for 5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine?
The canonical SMILES for 5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine is c1cn(C(c2ccc(-c3ccsc3)nc2)C2CC2)cn1.
What is the InChIKey of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine?
The InChIKey is KIMDFMHBHQIIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-12(1)16(19-7-6-17-11-19)13-3-4-15(18-9-13)14-5-8-20-10-14/h3-12,16H,1-2H2.
What are the key properties of 5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine?
5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine has a molecular weight of 281.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(imidazol-1-yl)methyl]-2-thiophen-3-ylpyridine is sourced from PubChem (CID 57330006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).