4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

C23H21N5O4S2 — CID 16615985

IUPAC4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1
InChIInChI=1S/C23H21N5O4S2/c1-15-22(33-23(30)25-15)34(31,32)28-12-10-27(11-13-28)21(29)17-14-20(19-8-4-5-9-24-19)26-18-7-3-2-6-16(17)18/h2-9,14H,10-13H2,1H3,(H,25,30)
InChIKeyZCXISXMYSGIOJS-UHFFFAOYSA-N
MW495.59 g/mol
LogP2.50
Rot. Bonds4

About 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 16615985) has the molecular formula C23H21N5O4S2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
PubChem CID16615985
Molecular FormulaC23H21N5O4S2
Molecular Weight495.59 g/mol
Exact Mass495.10
IUPAC Name4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1
InChIInChI=1S/C23H21N5O4S2/c1-15-22(33-23(30)25-15)34(31,32)28-12-10-27(11-13-28)21(29)17-14-20(19-8-4-5-9-24-19)26-18-7-3-2-6-16(17)18/h2-9,14H,10-13H2,1H3,(H,25,30)
InChIKeyZCXISXMYSGIOJS-UHFFFAOYSA-N
XLogP2.50
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 17430035
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
4-methyl-5-[4-(2-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16616073
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16616013
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 39036597
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 4807266
(4-thiophen-2-ylsulfonylpiperazin-1-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518964
5-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 18288944
4-methyl-5-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16962586
[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
CID 1261213
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 3580966

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (CID 16615985) is 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1.
What is the InChIKey of 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The InChIKey is ZCXISXMYSGIOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S2/c1-15-22(33-23(30)25-15)34(31,32)28-12-10-27(11-13-28)21(29)17-14-20(19-8-4-5-9-24-19)26-18-7-3-2-6-16(17)18/h2-9,14H,10-13H2,1H3,(H,25,30).
What are the key properties of 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 495.59 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 16615985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).