4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

C19H22N4O5S2 — CID 16615899

IUPAC4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C19H22N4O5S2/c1-13-18(29-19(26)20-13)30(27,28)22-11-9-21(10-12-22)17(25)14-4-6-15(7-5-14)23-8-2-3-16(23)24/h4-7H,2-3,8-12H2,1H3,(H,20,26)
InChIKeyNEQBPWYVWZNDGM-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.02
Rot. Bonds4

About 4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 16615899) has the molecular formula C19H22N4O5S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
PubChem CID16615899
Molecular FormulaC19H22N4O5S2
Molecular Weight450.54 g/mol
Exact Mass450.10
IUPAC Name4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C19H22N4O5S2/c1-13-18(29-19(26)20-13)30(27,28)22-11-9-21(10-12-22)17(25)14-4-6-15(7-5-14)23-8-2-3-16(23)24/h4-7H,2-3,8-12H2,1H3,(H,20,26)
InChIKeyNEQBPWYVWZNDGM-UHFFFAOYSA-N
XLogP1.02
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
CID 33049487
4-methyl-5-[4-[4-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16616036
4-methyl-5-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16962575
1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
CID 31199964
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
1-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 26011013
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
4-methyl-5-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16616069
4-methyl-5-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16616025
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16616013

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (CID 16615899) is 4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The InChIKey is NEQBPWYVWZNDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S2/c1-13-18(29-19(26)20-13)30(27,28)22-11-9-21(10-12-22)17(25)14-4-6-15(7-5-14)23-8-2-3-16(23)24/h4-7H,2-3,8-12H2,1H3,(H,20,26).
What are the key properties of 4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 450.54 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 16615899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).