2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole

C14H16N4S2 — CID 14234972

IUPAC2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole
SMILESCCc1c(SC)nc2nc(-c3nc(C)cs3)cn2c1C
InChIInChI=1S/C14H16N4S2/c1-5-10-9(3)18-6-11(13-15-8(2)7-20-13)16-14(18)17-12(10)19-4/h6-7H,5H2,1-4H3
InChIKeyBERUZSFUOKCIME-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.75
Rot. Bonds3

About 2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole

2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole (PubChem CID 14234972) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole
PubChem CID14234972
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC Name2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole
SMILESCCc1c(SC)nc2nc(-c3nc(C)cs3)cn2c1C
InChIInChI=1S/C14H16N4S2/c1-5-10-9(3)18-6-11(13-15-8(2)7-20-13)16-14(18)17-12(10)19-4/h6-7H,5H2,1-4H3
InChIKeyBERUZSFUOKCIME-UHFFFAOYSA-N
XLogP3.75
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole (CID 14234972) is 2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole is CCc1c(SC)nc2nc(-c3nc(C)cs3)cn2c1C.
What is the InChIKey of 2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is BERUZSFUOKCIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-5-10-9(3)18-6-11(13-15-8(2)7-20-13)16-14(18)17-12(10)19-4/h6-7H,5H2,1-4H3.
What are the key properties of 2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole?
2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 304.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 14234972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).