2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one

C11H11N5OS2 — CID 63819149

IUPAC2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one
SMILESNCCc1c(Sc2nccc(=O)[nH]2)nc2sccn12
InChIInChI=1S/C11H11N5OS2/c12-3-1-7-9(15-11-16(7)5-6-18-11)19-10-13-4-2-8(17)14-10/h2,4-6H,1,3,12H2,(H,13,14,17)
InChIKeyBGPPRZIBQCEUCG-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.13
Rot. Bonds4

About 2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one

2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 63819149) has the molecular formula C11H11N5OS2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID63819149
Molecular FormulaC11H11N5OS2
Molecular Weight293.38 g/mol
Exact Mass293.04
IUPAC Name2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one
SMILESNCCc1c(Sc2nccc(=O)[nH]2)nc2sccn12
InChIInChI=1S/C11H11N5OS2/c12-3-1-7-9(15-11-16(7)5-6-18-11)19-10-13-4-2-8(17)14-10/h2,4-6H,1,3,12H2,(H,13,14,17)
InChIKeyBGPPRZIBQCEUCG-UHFFFAOYSA-N
XLogP1.13
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one (CID 63819149) is 2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one is NCCc1c(Sc2nccc(=O)[nH]2)nc2sccn12.
What is the InChIKey of 2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is BGPPRZIBQCEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS2/c12-3-1-7-9(15-11-16(7)5-6-18-11)19-10-13-4-2-8(17)14-10/h2,4-6H,1,3,12H2,(H,13,14,17).
What are the key properties of 2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one?
2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 293.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).