4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione

C11H13N5O2S — CID 66063544

IUPAC4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1nc2sccn2c1CN
InChIInChI=1S/C11H13N5O2S/c1-6-10(18)13-8(17)5-16(6)9-7(4-12)15-2-3-19-11(15)14-9/h2-3,6H,4-5,12H2,1H3,(H,13,17,18)
InChIKeyYIKTULIQPQMONE-UHFFFAOYSA-N
MW279.32 g/mol
LogP-0.29
Rot. Bonds2

About 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione

4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione (PubChem CID 66063544) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione
PubChem CID66063544
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1nc2sccn2c1CN
InChIInChI=1S/C11H13N5O2S/c1-6-10(18)13-8(17)5-16(6)9-7(4-12)15-2-3-19-11(15)14-9/h2-3,6H,4-5,12H2,1H3,(H,13,17,18)
InChIKeyYIKTULIQPQMONE-UHFFFAOYSA-N
XLogP-0.29
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione (CID 66063544) is 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1c1nc2sccn2c1CN.
What is the InChIKey of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione?
The InChIKey is YIKTULIQPQMONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-6-10(18)13-8(17)5-16(6)9-7(4-12)15-2-3-19-11(15)14-9/h2-3,6H,4-5,12H2,1H3,(H,13,17,18).
What are the key properties of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione?
4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione has a molecular weight of 279.32 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66063544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).