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

C13H19N5OS — CID 63004159

IUPAC1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one
SMILESCCNCc1c(N2CCNC(=O)CC2)nc2sccn12
InChIInChI=1S/C13H19N5OS/c1-2-14-9-10-12(16-13-18(10)7-8-20-13)17-5-3-11(19)15-4-6-17/h7-8,14H,2-6,9H2,1H3,(H,15,19)
InChIKeyZACCHXVROASVRX-UHFFFAOYSA-N
MW293.40 g/mol
LogP0.83
Rot. Bonds4

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

1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one (PubChem CID 63004159) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one
PubChem CID63004159
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one
SMILESCCNCc1c(N2CCNC(=O)CC2)nc2sccn12
InChIInChI=1S/C13H19N5OS/c1-2-14-9-10-12(16-13-18(10)7-8-20-13)17-5-3-11(19)15-4-6-17/h7-8,14H,2-6,9H2,1H3,(H,15,19)
InChIKeyZACCHXVROASVRX-UHFFFAOYSA-N
XLogP0.83
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
The IUPAC name of 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one (CID 63004159) is 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one is CCNCc1c(N2CCNC(=O)CC2)nc2sccn12.
What is the InChIKey of 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
The InChIKey is ZACCHXVROASVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-2-14-9-10-12(16-13-18(10)7-8-20-13)17-5-3-11(19)15-4-6-17/h7-8,14H,2-6,9H2,1H3,(H,15,19).
What are the key properties of 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one?
1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one has a molecular weight of 293.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1,4-diazepan-5-one is sourced from PubChem (CID 63004159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).