1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

C19H16N4OS — CID 702675

IUPAC1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1
InChIInChI=1S/C19H16N4OS/c1-12-18(23-9-4-3-8-17(23)20-12)16-11-25-19(22-16)21-15-7-5-6-14(10-15)13(2)24/h3-11H,1-2H3,(H,21,22)
InChIKeyKLMLBDOMNGIKIL-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.71
Rot. Bonds4

About 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 702675) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID702675
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1
InChIInChI=1S/C19H16N4OS/c1-12-18(23-9-4-3-8-17(23)20-12)16-11-25-19(22-16)21-15-7-5-6-14(10-15)13(2)24/h3-11H,1-2H3,(H,21,22)
InChIKeyKLMLBDOMNGIKIL-UHFFFAOYSA-N
XLogP4.71
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 702675) is 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1.
What is the InChIKey of 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is KLMLBDOMNGIKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-18(23-9-4-3-8-17(23)20-12)16-11-25-19(22-16)21-15-7-5-6-14(10-15)13(2)24/h3-11H,1-2H3,(H,21,22).
What are the key properties of 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 348.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 702675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).