2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C20H26N6OS — CID 126914944

IUPAC2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(Cc3cn4ccsc4n3)CC1)CCCC2
InChIInChI=1S/C20H26N6OS/c27-19-13-16-3-1-2-4-18(16)22-26(19)10-9-23-5-7-24(8-6-23)14-17-15-25-11-12-28-20(25)21-17/h11-13,15H,1-10,14H2
InChIKeyDPUCBQSSXXQTBU-UHFFFAOYSA-N
MW398.54 g/mol
LogP1.65
Rot. Bonds5

About 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126914944) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126914944
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC Name2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(Cc3cn4ccsc4n3)CC1)CCCC2
InChIInChI=1S/C20H26N6OS/c27-19-13-16-3-1-2-4-18(16)22-26(19)10-9-23-5-7-24(8-6-23)14-17-15-25-11-12-28-20(25)21-17/h11-13,15H,1-10,14H2
InChIKeyDPUCBQSSXXQTBU-UHFFFAOYSA-N
XLogP1.65
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 115334182
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914596
2-[2-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915161
2-[2-[4-[(1-methyl-6-oxo-2-pyridinyl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914968
4-[[4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 126914888
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
2-[2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914913
2-[2-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915147
2-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914877
2-[2-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914572
2-[2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915131
2-[2-[4-(4-bromothiophene-2-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914698

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126914944) is 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CCN1CCN(Cc3cn4ccsc4n3)CC1)CCCC2.
What is the InChIKey of 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is DPUCBQSSXXQTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS/c27-19-13-16-3-1-2-4-18(16)22-26(19)10-9-23-5-7-24(8-6-23)14-17-15-25-11-12-28-20(25)21-17/h11-13,15H,1-10,14H2.
What are the key properties of 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 398.54 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126914944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).