N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C13H17N3O4S2 — CID 155510039

IUPACN-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)C1CC(=O)N(c2nccs2)C1
InChIInChI=1S/C13H17N3O4S2/c17-11-7-9(8-16(11)13-14-3-4-21-13)12(18)15-10-1-5-22(19,20)6-2-10/h3-4,9-10H,1-2,5-8H2,(H,15,18)
InChIKeyMGQMADBYBZNCQM-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.19
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 155510039) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID155510039
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC NameN-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)C1CC(=O)N(c2nccs2)C1
InChIInChI=1S/C13H17N3O4S2/c17-11-7-9(8-16(11)13-14-3-4-21-13)12(18)15-10-1-5-22(19,20)6-2-10/h3-4,9-10H,1-2,5-8H2,(H,15,18)
InChIKeyMGQMADBYBZNCQM-UHFFFAOYSA-N
XLogP0.19
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromophenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952895
5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 162631015
1-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 51240390
1-(2,6-difluorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192256
N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154568494
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94015320
N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 166192355
N-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558971
1-[4-(dimethylamino)phenyl]-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113189623
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155497144
N-(1,1-dioxothiolan-3-yl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185972
1-cyclobutyl-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 110687491

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 155510039) is N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(NC1CCS(=O)(=O)CC1)C1CC(=O)N(c2nccs2)C1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is MGQMADBYBZNCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c17-11-7-9(8-16(11)13-14-3-4-21-13)12(18)15-10-1-5-22(19,20)6-2-10/h3-4,9-10H,1-2,5-8H2,(H,15,18).
What are the key properties of N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155510039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).