N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline

C16H17N3S — CID 16750138

IUPACN,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline
SMILESCN(C)c1ccc(-c2cn3cc(S[11CH3])ccc3n2)cc1
InChIInChI=1S/C16H17N3S/c1-18(2)13-6-4-12(5-7-13)15-11-19-10-14(20-3)8-9-16(19)17-15/h4-11H,1-3H3/i3-1
InChIKeyWOYCDVDURLTMAW-KTXUZGJCSA-N
MW282.40 g/mol
LogP3.79
Rot. Bonds3

About N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline

N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline (PubChem CID 16750138) has the molecular formula C16H17N3S and a molecular weight of 282.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline
PubChem CID16750138
Molecular FormulaC16H17N3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC NameN,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline
SMILESCN(C)c1ccc(-c2cn3cc(S[11CH3])ccc3n2)cc1
InChIInChI=1S/C16H17N3S/c1-18(2)13-6-4-12(5-7-13)15-11-19-10-14(20-3)8-9-16(19)17-15/h4-11H,1-3H3/i3-1
InChIKeyWOYCDVDURLTMAW-KTXUZGJCSA-N
XLogP3.79
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline (CID 16750138) is N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline is CN(C)c1ccc(-c2cn3cc(S[11CH3])ccc3n2)cc1.
What is the InChIKey of N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline?
The InChIKey is WOYCDVDURLTMAW-KTXUZGJCSA-N. The full InChI is InChI=1S/C16H17N3S/c1-18(2)13-6-4-12(5-7-13)15-11-19-10-14(20-3)8-9-16(19)17-15/h4-11H,1-3H3/i3-1.
What are the key properties of N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline?
N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline has a molecular weight of 282.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(6-(111C)methylsulfanylimidazo[1,2-a]pyridin-2-yl)aniline is sourced from PubChem (CID 16750138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).