N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine

C14H14ClN3S — CID 78913115

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESClc1ccc2nc(CNCCc3cccs3)cn2c1
InChIInChI=1S/C14H14ClN3S/c15-11-3-4-14-17-12(10-18(14)9-11)8-16-6-5-13-2-1-7-19-13/h1-4,7,9-10,16H,5-6,8H2
InChIKeyYPQMNDNOGMNSNB-UHFFFAOYSA-N
MW291.81 g/mol
LogP3.38
Rot. Bonds5

About N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 78913115) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID78913115
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESClc1ccc2nc(CNCCc3cccs3)cn2c1
InChIInChI=1S/C14H14ClN3S/c15-11-3-4-14-17-12(10-18(14)9-11)8-16-6-5-13-2-1-7-19-13/h1-4,7,9-10,16H,5-6,8H2
InChIKeyYPQMNDNOGMNSNB-UHFFFAOYSA-N
XLogP3.38
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine (CID 78913115) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine is Clc1ccc2nc(CNCCc3cccs3)cn2c1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is YPQMNDNOGMNSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c15-11-3-4-14-17-12(10-18(14)9-11)8-16-6-5-13-2-1-7-19-13/h1-4,7,9-10,16H,5-6,8H2.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 291.81 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 78913115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).