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

C14H21N5OS — CID 102889682

IUPAC4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one
SMILESCCNCc1c(N2CCCN(C)C(=O)C2)nc2sccn12
InChIInChI=1S/C14H21N5OS/c1-3-15-9-11-13(16-14-19(11)7-8-21-14)18-6-4-5-17(2)12(20)10-18/h7-8,15H,3-6,9-10H2,1-2H3
InChIKeyAXUDUPAZQJRRTG-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.17
Rot. Bonds4

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

4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102889682) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one
PubChem CID102889682
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one
SMILESCCNCc1c(N2CCCN(C)C(=O)C2)nc2sccn12
InChIInChI=1S/C14H21N5OS/c1-3-15-9-11-13(16-14-19(11)7-8-21-14)18-6-4-5-17(2)12(20)10-18/h7-8,15H,3-6,9-10H2,1-2H3
InChIKeyAXUDUPAZQJRRTG-UHFFFAOYSA-N
XLogP1.17
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one (CID 102889682) is 4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one is CCNCc1c(N2CCCN(C)C(=O)C2)nc2sccn12.
What is the InChIKey of 4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is AXUDUPAZQJRRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-3-15-9-11-13(16-14-19(11)7-8-21-14)18-6-4-5-17(2)12(20)10-18/h7-8,15H,3-6,9-10H2,1-2H3.
What are the key properties of 4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one?
4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 307.42 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102889682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).