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

C12H17N5OS — CID 55215734

IUPAC4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nc2sccn2c1CN
InChIInChI=1S/C12H17N5OS/c1-12(2)10(18)14-3-4-17(12)9-8(7-13)16-5-6-19-11(16)15-9/h5-6H,3-4,7,13H2,1-2H3,(H,14,18)
InChIKeyLMMUZFNEAOZBCD-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.57
Rot. Bonds2

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

4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one (PubChem CID 55215734) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one
PubChem CID55215734
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nc2sccn2c1CN
InChIInChI=1S/C12H17N5OS/c1-12(2)10(18)14-3-4-17(12)9-8(7-13)16-5-6-19-11(16)15-9/h5-6H,3-4,7,13H2,1-2H3,(H,14,18)
InChIKeyLMMUZFNEAOZBCD-UHFFFAOYSA-N
XLogP0.57
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one (CID 55215734) is 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1nc2sccn2c1CN.
What is the InChIKey of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one?
The InChIKey is LMMUZFNEAOZBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-12(2)10(18)14-3-4-17(12)9-8(7-13)16-5-6-19-11(16)15-9/h5-6H,3-4,7,13H2,1-2H3,(H,14,18).
What are the key properties of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one?
4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one has a molecular weight of 279.37 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 55215734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).