5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole

C19H19N3O2S2 — CID 139582153

IUPAC5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESO=S(=O)(c1ncsc1-c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H19N3O2S2/c23-26(24,19-18(25-15-20-19)16-7-3-1-4-8-16)22-13-11-21(12-14-22)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyRUSGOCUMQPSEAE-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.32
Rot. Bonds4

About 5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole

5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole (PubChem CID 139582153) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole
PubChem CID139582153
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole
SMILESO=S(=O)(c1ncsc1-c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H19N3O2S2/c23-26(24,19-18(25-15-20-19)16-7-3-1-4-8-16)22-13-11-21(12-14-22)17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyRUSGOCUMQPSEAE-UHFFFAOYSA-N
XLogP3.32
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-4-piperidin-1-ylsulfonyl-1,3-thiazole
CID 139582161
1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110650765
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 110295033
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649513
1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine
CID 53130925
1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 11952187
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 20974218
1-(dichloromethylsulfonyl)-4-phenylpiperazine
CID 10470565
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole (CID 139582153) is 5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole is O=S(=O)(c1ncsc1-c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole?
The InChIKey is RUSGOCUMQPSEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-26(24,19-18(25-15-20-19)16-7-3-1-4-8-16)22-13-11-21(12-14-22)17-9-5-2-6-10-17/h1-10,15H,11-14H2.
What are the key properties of 5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole?
5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole has a molecular weight of 385.51 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 139582153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).