2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole

C19H24N4O2S2 — CID 53151698

IUPAC2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C(C)C)nc2s1
InChIInChI=1S/C19H24N4O2S2/c1-14(2)17-18(23-13-15(3)26-19(23)20-17)27(24,25)22-11-9-21(10-12-22)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeyZXRLRYDWCYKTKO-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.34
Rot. Bonds4

About 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole

2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 53151698) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole
PubChem CID53151698
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC Name2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn2c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C(C)C)nc2s1
InChIInChI=1S/C19H24N4O2S2/c1-14(2)17-18(23-13-15(3)26-19(23)20-17)27(24,25)22-11-9-21(10-12-22)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeyZXRLRYDWCYKTKO-UHFFFAOYSA-N
XLogP3.34
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole
CID 53151793
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine
CID 56920069
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
CID 50843856
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 91888334
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780877
1-(dichloromethylsulfonyl)-4-phenylpiperazine
CID 10470565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole (CID 53151698) is 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole is Cc1cn2c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c(C(C)C)nc2s1.
What is the InChIKey of 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is ZXRLRYDWCYKTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c1-14(2)17-18(23-13-15(3)26-19(23)20-17)27(24,25)22-11-9-21(10-12-22)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole?
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 404.56 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 53151698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).