2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide

C14H16N4O3S2 — CID 133353927

IUPAC2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(N2CCC(Nc3ncc(S(N)(=O)=O)s3)C2=O)cc1
InChIInChI=1S/C14H16N4O3S2/c1-9-2-4-10(5-3-9)18-7-6-11(13(18)19)17-14-16-8-12(22-14)23(15,20)21/h2-5,8,11H,6-7H2,1H3,(H,16,17)(H2,15,20,21)
InChIKeyCQKGTSNQAXXHOW-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.32
Rot. Bonds4

About 2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide

2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide (PubChem CID 133353927) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
PubChem CID133353927
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(N2CCC(Nc3ncc(S(N)(=O)=O)s3)C2=O)cc1
InChIInChI=1S/C14H16N4O3S2/c1-9-2-4-10(5-3-9)18-7-6-11(13(18)19)17-14-16-8-12(22-14)23(15,20)21/h2-5,8,11H,6-7H2,1H3,(H,16,17)(H2,15,20,21)
InChIKeyCQKGTSNQAXXHOW-UHFFFAOYSA-N
XLogP1.32
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
CID 133338471
3-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133354008
3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353967
3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133484160
1-(4-methylphenyl)-3-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one
CID 146125935
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 23394255
4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one
CID 133354000
1-(4-bromo-3-methylphenyl)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one
CID 133475288
4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
CID 164619903
1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133353995
4-[3-[(4-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466442
3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one
CID 119139001

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide (CID 133353927) is 2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide is Cc1ccc(N2CCC(Nc3ncc(S(N)(=O)=O)s3)C2=O)cc1.
What is the InChIKey of 2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is CQKGTSNQAXXHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c1-9-2-4-10(5-3-9)18-7-6-11(13(18)19)17-14-16-8-12(22-14)23(15,20)21/h2-5,8,11H,6-7H2,1H3,(H,16,17)(H2,15,20,21).
What are the key properties of 2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 352.44 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133353927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).