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

C18H15N5OS — CID 768035

IUPAC1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c1
InChIInChI=1S/C18H15N5OS/c1-11-16(23-8-4-7-19-17(23)20-11)15-10-25-18(22-15)21-14-6-3-5-13(9-14)12(2)24/h3-10H,1-2H3,(H,21,22)
InChIKeyNEQFXENBGUMDLL-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.11
Rot. Bonds4

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

1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 768035) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID768035
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c1
InChIInChI=1S/C18H15N5OS/c1-11-16(23-8-4-7-19-17(23)20-11)15-10-25-18(22-15)21-14-6-3-5-13(9-14)12(2)24/h3-10H,1-2H3,(H,21,22)
InChIKeyNEQFXENBGUMDLL-UHFFFAOYSA-N
XLogP4.11
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 768035) is 1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)c1.
What is the InChIKey of 1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is NEQFXENBGUMDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-11-16(23-8-4-7-19-17(23)20-11)15-10-25-18(22-15)21-14-6-3-5-13(9-14)12(2)24/h3-10H,1-2H3,(H,21,22).
What are the key properties of 1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 349.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 768035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).