4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole

C13H14N4O2S — CID 115404161

IUPAC4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole
SMILESCOc1cc(OC)n2cc(-c3nc(C)sc3C)nc2n1
InChIInChI=1S/C13H14N4O2S/c1-7-12(14-8(2)20-7)9-6-17-11(19-4)5-10(18-3)16-13(17)15-9/h5-6H,1-4H3
InChIKeyRTQDLYXNIQEJRJ-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.49
Rot. Bonds3

About 4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole

4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole (PubChem CID 115404161) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole
PubChem CID115404161
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole
SMILESCOc1cc(OC)n2cc(-c3nc(C)sc3C)nc2n1
InChIInChI=1S/C13H14N4O2S/c1-7-12(14-8(2)20-7)9-6-17-11(19-4)5-10(18-3)16-13(17)15-9/h5-6H,1-4H3
InChIKeyRTQDLYXNIQEJRJ-UHFFFAOYSA-N
XLogP2.49
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole (CID 115404161) is 4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole is COc1cc(OC)n2cc(-c3nc(C)sc3C)nc2n1.
What is the InChIKey of 4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole?
The InChIKey is RTQDLYXNIQEJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-7-12(14-8(2)20-7)9-6-17-11(19-4)5-10(18-3)16-13(17)15-9/h5-6H,1-4H3.
What are the key properties of 4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole?
4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole has a molecular weight of 290.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 115404161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).