[2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone

C16H15ClN4OS — CID 120739264

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone
SMILESO=C(c1csc2cncn12)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C16H15ClN4OS/c17-12-4-2-1-3-11(12)13-7-18-5-6-20(13)16(22)14-9-23-15-8-19-10-21(14)15/h1-4,8-10,13,18H,5-7H2
InChIKeyUTLLCNMHZQTFOY-UHFFFAOYSA-N
MW346.84 g/mol
LogP2.84
Rot. Bonds2

About [2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone

[2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone (PubChem CID 120739264) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone
PubChem CID120739264
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone
SMILESO=C(c1csc2cncn12)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C16H15ClN4OS/c17-12-4-2-1-3-11(12)13-7-18-5-6-20(13)16(22)14-9-23-15-8-19-10-21(14)15/h1-4,8-10,13,18H,5-7H2
InChIKeyUTLLCNMHZQTFOY-UHFFFAOYSA-N
XLogP2.84
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120739301
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride
CID 120739287
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 120739064
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N,N-diethylbenzamide
CID 120738630
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone;hydrochloride
CID 120739005
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone (CID 120739264) is [2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone is O=C(c1csc2cncn12)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone?
The InChIKey is UTLLCNMHZQTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c17-12-4-2-1-3-11(12)13-7-18-5-6-20(13)16(22)14-9-23-15-8-19-10-21(14)15/h1-4,8-10,13,18H,5-7H2.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone?
[2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone has a molecular weight of 346.84 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone is sourced from PubChem (CID 120739264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).