1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

C20H18N4OS — CID 1239383

IUPAC1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c1
InChIInChI=1S/C20H18N4OS/c1-12-7-8-24-18(9-12)21-13(2)19(24)17-11-26-20(23-17)22-16-6-4-5-15(10-16)14(3)25/h4-11H,1-3H3,(H,22,23)
InChIKeyWKKDREJOJDHTDA-UHFFFAOYSA-N
MW362.46 g/mol
LogP5.02
Rot. Bonds4

About 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 1239383) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID1239383
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c1
InChIInChI=1S/C20H18N4OS/c1-12-7-8-24-18(9-12)21-13(2)19(24)17-11-26-20(23-17)22-16-6-4-5-15(10-16)14(3)25/h4-11H,1-3H3,(H,22,23)
InChIKeyWKKDREJOJDHTDA-UHFFFAOYSA-N
XLogP5.02
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 1239383) is 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c1.
What is the InChIKey of 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is WKKDREJOJDHTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-12-7-8-24-18(9-12)21-13(2)19(24)17-11-26-20(23-17)22-16-6-4-5-15(10-16)14(3)25/h4-11H,1-3H3,(H,22,23).
What are the key properties of 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 362.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 1239383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).