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

C20H19BrN4OS — CID 2877409

IUPAC1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;hydrobromide
SMILESBr.CC(=O)c1cccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c1
InChIInChI=1S/C20H18N4OS.BrH/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);1H
InChIKeyYRIXJOPWRXIUAY-UHFFFAOYSA-N
MW443.37 g/mol
LogP5.60
Rot. Bonds4

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

1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;hydrobromide (PubChem CID 2877409) has the molecular formula C20H19BrN4OS and a molecular weight of 443.37 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;hydrobromide.

Molecular Properties

Compound Name1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;hydrobromide
PubChem CID2877409
Molecular FormulaC20H19BrN4OS
Molecular Weight443.37 g/mol
Exact Mass442.05
IUPAC Name1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;hydrobromide
SMILESBr.CC(=O)c1cccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)c1
InChIInChI=1S/C20H18N4OS.BrH/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);1H
InChIKeyYRIXJOPWRXIUAY-UHFFFAOYSA-N
XLogP5.60
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.37
LogP ≤ 55.60
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;hydrobromide?
The IUPAC name of 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;hydrobromide (CID 2877409) is 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;hydrobromide.
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;hydrobromide?
The canonical SMILES for 1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;hydrobromide is Br.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;hydrobromide?
The InChIKey is YRIXJOPWRXIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS.BrH/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);1H.
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;hydrobromide?
1-[3-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;hydrobromide has a molecular weight of 443.37 g/mol, XLogP of 5.60, 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;hydrobromide is sourced from PubChem (CID 2877409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).