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

C11H15N5OS — CID 55135279

IUPAC1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one
SMILESNCc1c(N2CCNC(=O)CC2)nc2sccn12
InChIInChI=1S/C11H15N5OS/c12-7-8-10(14-11-16(8)5-6-18-11)15-3-1-9(17)13-2-4-15/h5-6H,1-4,7,12H2,(H,13,17)
InChIKeyPWXUDSMUZKVCHQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.18
Rot. Bonds2

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

1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one (PubChem CID 55135279) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one
PubChem CID55135279
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one
SMILESNCc1c(N2CCNC(=O)CC2)nc2sccn12
InChIInChI=1S/C11H15N5OS/c12-7-8-10(14-11-16(8)5-6-18-11)15-3-1-9(17)13-2-4-15/h5-6H,1-4,7,12H2,(H,13,17)
InChIKeyPWXUDSMUZKVCHQ-UHFFFAOYSA-N
XLogP0.18
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
The IUPAC name of 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one (CID 55135279) is 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one is NCc1c(N2CCNC(=O)CC2)nc2sccn12.
What is the InChIKey of 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
The InChIKey is PWXUDSMUZKVCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c12-7-8-10(14-11-16(8)5-6-18-11)15-3-1-9(17)13-2-4-15/h5-6H,1-4,7,12H2,(H,13,17).
What are the key properties of 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one has a molecular weight of 265.34 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one is sourced from PubChem (CID 55135279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).