(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

C18H19ClN4O3S2 — CID 16582702

IUPAC(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(Cl)nc4sccn34)CC2)cc1C
InChIInChI=1S/C18H19ClN4O3S2/c1-12-3-4-14(11-13(12)2)28(25,26)22-7-5-21(6-8-22)17(24)15-16(19)20-18-23(15)9-10-27-18/h3-4,9-11H,5-8H2,1-2H3
InChIKeyXCMASHKFTBKWEX-UHFFFAOYSA-N
MW438.96 g/mol
LogP2.81
Rot. Bonds3

About (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 16582702) has the molecular formula C18H19ClN4O3S2 and a molecular weight of 438.96 g/mol. Its IUPAC name is (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID16582702
Molecular FormulaC18H19ClN4O3S2
Molecular Weight438.96 g/mol
Exact Mass438.06
IUPAC Name(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(Cl)nc4sccn34)CC2)cc1C
InChIInChI=1S/C18H19ClN4O3S2/c1-12-3-4-14(11-13(12)2)28(25,26)22-7-5-21(6-8-22)17(24)15-16(19)20-18-23(15)9-10-27-18/h3-4,9-11H,5-8H2,1-2H3
InChIKeyXCMASHKFTBKWEX-UHFFFAOYSA-N
XLogP2.81
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110646062
(1-chloroisoquinolin-3-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55666498
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 27562943
(E)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 16594162
(3,6-dichloro-1-benzothiophen-2-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 22772714
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid
CID 6468063
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
(5-bromo-2-fluorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26872183
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 9327033
(3-aminophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678940
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396613

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 16582702) is (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(Cl)nc4sccn34)CC2)cc1C.
What is the InChIKey of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is XCMASHKFTBKWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S2/c1-12-3-4-14(11-13(12)2)28(25,26)22-7-5-21(6-8-22)17(24)15-16(19)20-18-23(15)9-10-27-18/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 438.96 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 16582702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).