N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide

C11H16N4O4S2 — CID 168717800

IUPACN,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CC(S(N)(=O)=O)CC2=O)sc1C(=O)N(C)C
InChIInChI=1S/C11H16N4O4S2/c1-6-9(10(17)14(2)3)20-11(13-6)15-5-7(4-8(15)16)21(12,18)19/h7H,4-5H2,1-3H3,(H2,12,18,19)
InChIKeyALCKNSNVLRNYSD-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.45
Rot. Bonds3

About N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 168717800) has the molecular formula C11H16N4O4S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID168717800
Molecular FormulaC11H16N4O4S2
Molecular Weight332.41 g/mol
Exact Mass332.06
IUPAC NameN,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CC(S(N)(=O)=O)CC2=O)sc1C(=O)N(C)C
InChIInChI=1S/C11H16N4O4S2/c1-6-9(10(17)14(2)3)20-11(13-6)15-5-7(4-8(15)16)21(12,18)19/h7H,4-5H2,1-3H3,(H2,12,18,19)
InChIKeyALCKNSNVLRNYSD-UHFFFAOYSA-N
XLogP-0.45
TPSA113.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 168681555
ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 168708241
ethyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 168659314
2-amino-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 673715
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717516
4-ethyl-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 168713811
5-oxo-1-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-sulfonamide
CID 168716987
1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717006
1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717128
N,N-dimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetamide
CID 168717165
1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717778
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717881

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide (CID 168717800) is N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide is Cc1nc(N2CC(S(N)(=O)=O)CC2=O)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ALCKNSNVLRNYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S2/c1-6-9(10(17)14(2)3)20-11(13-6)15-5-7(4-8(15)16)21(12,18)19/h7H,4-5H2,1-3H3,(H2,12,18,19).
What are the key properties of N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 168717800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).