2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide

C17H18N4OS — CID 11595039

IUPAC2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide
SMILESCN(C)c1ccc(-c2cn3cc(SCC(N)=O)ccc3n2)cc1
InChIInChI=1S/C17H18N4OS/c1-20(2)13-5-3-12(4-6-13)15-10-21-9-14(23-11-16(18)22)7-8-17(21)19-15/h3-10H,11H2,1-2H3,(H2,18,22)
InChIKeyYXHUTOPLANMMLP-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.64
Rot. Bonds5

About 2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide

2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide (PubChem CID 11595039) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide
PubChem CID11595039
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide
SMILESCN(C)c1ccc(-c2cn3cc(SCC(N)=O)ccc3n2)cc1
InChIInChI=1S/C17H18N4OS/c1-20(2)13-5-3-12(4-6-13)15-10-21-9-14(23-11-16(18)22)7-8-17(21)19-15/h3-10H,11H2,1-2H3,(H2,18,22)
InChIKeyYXHUTOPLANMMLP-UHFFFAOYSA-N
XLogP2.64
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide (CID 11595039) is 2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide is CN(C)c1ccc(-c2cn3cc(SCC(N)=O)ccc3n2)cc1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide?
The InChIKey is YXHUTOPLANMMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-20(2)13-5-3-12(4-6-13)15-10-21-9-14(23-11-16(18)22)7-8-17(21)19-15/h3-10H,11H2,1-2H3,(H2,18,22).
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide?
2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide has a molecular weight of 326.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide is sourced from PubChem (CID 11595039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).