2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole

C16H19N5O2S2 — CID 53151793

IUPAC2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C)nc2s1
InChIInChI=1S/C16H19N5O2S2/c1-12-15(21-16(17-12)24-13(2)18-21)25(22,23)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyWQLLANYAVVRNRT-UHFFFAOYSA-N
MW377.50 g/mol
LogP1.92
Rot. Bonds3

About 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole

2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 53151793) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID53151793
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC Name2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C)nc2s1
InChIInChI=1S/C16H19N5O2S2/c1-12-15(21-16(17-12)24-13(2)18-21)25(22,23)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyWQLLANYAVVRNRT-UHFFFAOYSA-N
XLogP1.92
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole 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-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole
CID 53151698
2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
CID 50843856
1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 50876773
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 20974218
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine
CID 56920069
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780877
N-[(4-bromophenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151899
5-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822109
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole (CID 53151793) is 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C)nc2s1.
What is the InChIKey of 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is WQLLANYAVVRNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c1-12-15(21-16(17-12)24-13(2)18-21)25(22,23)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole?
2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 377.50 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 53151793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).