5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile

C14H16N4S — CID 154738030

IUPAC5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCC2CCCn3ccnc32)c1
InChIInChI=1S/C14H16N4S/c15-7-11-6-13(19-10-11)9-16-8-12-2-1-4-18-5-3-17-14(12)18/h3,5-6,10,12,16H,1-2,4,8-9H2
InChIKeyZBQACESZXOQPNJ-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.48
Rot. Bonds4

About 5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile

5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile (PubChem CID 154738030) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile
PubChem CID154738030
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCC2CCCn3ccnc32)c1
InChIInChI=1S/C14H16N4S/c15-7-11-6-13(19-10-11)9-16-8-12-2-1-4-18-5-3-17-14(12)18/h3,5-6,10,12,16H,1-2,4,8-9H2
InChIKeyZBQACESZXOQPNJ-UHFFFAOYSA-N
XLogP2.48
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile (CID 154738030) is 5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile is N#Cc1csc(CNCC2CCCn3ccnc32)c1.
What is the InChIKey of 5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile?
The InChIKey is ZBQACESZXOQPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c15-7-11-6-13(19-10-11)9-16-8-12-2-1-4-18-5-3-17-14(12)18/h3,5-6,10,12,16H,1-2,4,8-9H2.
What are the key properties of 5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile?
5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile has a molecular weight of 272.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 154738030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).