N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline

C15H15N3S — CID 43179471

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline
SMILESCSc1cccc(NCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H15N3S/c1-19-14-6-4-5-12(9-14)16-10-13-11-18-8-3-2-7-15(18)17-13/h2-9,11,16H,10H2,1H3
InChIKeySLSQZJHRKSITMQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.67
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline (PubChem CID 43179471) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline
PubChem CID43179471
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline
SMILESCSc1cccc(NCc2cn3ccccc3n2)c1
InChIInChI=1S/C15H15N3S/c1-19-14-6-4-5-12(9-14)16-10-13-11-18-8-3-2-7-15(18)17-13/h2-9,11,16H,10H2,1H3
InChIKeySLSQZJHRKSITMQ-UHFFFAOYSA-N
XLogP3.67
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline (CID 43179471) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline is CSc1cccc(NCc2cn3ccccc3n2)c1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline?
The InChIKey is SLSQZJHRKSITMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-19-14-6-4-5-12(9-14)16-10-13-11-18-8-3-2-7-15(18)17-13/h2-9,11,16H,10H2,1H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline has a molecular weight of 269.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline is sourced from PubChem (CID 43179471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).