N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide

C12H18N4O4S2 — CID 168681555

IUPACN,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CC(CS(N)(=O)=O)CC2=O)sc1C(=O)N(C)C
InChIInChI=1S/C12H18N4O4S2/c1-7-10(11(18)15(2)3)21-12(14-7)16-5-8(4-9(16)17)6-22(13,19)20/h8H,4-6H2,1-3H3,(H2,13,19,20)
InChIKeyFMRFUMMVTLEMGW-UHFFFAOYSA-N
MW346.43 g/mol
LogP-0.21
Rot. Bonds4

About N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 168681555) has the molecular formula C12H18N4O4S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID168681555
Molecular FormulaC12H18N4O4S2
Molecular Weight346.43 g/mol
Exact Mass346.08
IUPAC NameN,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CC(CS(N)(=O)=O)CC2=O)sc1C(=O)N(C)C
InChIInChI=1S/C12H18N4O4S2/c1-7-10(11(18)15(2)3)21-12(14-7)16-5-8(4-9(16)17)6-22(13,19)20/h8H,4-6H2,1-3H3,(H2,13,19,20)
InChIKeyFMRFUMMVTLEMGW-UHFFFAOYSA-N
XLogP-0.21
TPSA113.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,4-trimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
CID 168717800
ethyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 168659314
[1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680883
ethyl 4-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 168708241
[1-(5-bromo-6-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681534
[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
1-(5-chloro-4-methyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662706
[1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681533
[1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681636
[1-(4-bromo-6-fluoro-1,3-benzothiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682885
ethyl 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 168680845
[5-oxo-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683266

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide (CID 168681555) is N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is Cc1nc(N2CC(CS(N)(=O)=O)CC2=O)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is FMRFUMMVTLEMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S2/c1-7-10(11(18)15(2)3)21-12(14-7)16-5-8(4-9(16)17)6-22(13,19)20/h8H,4-6H2,1-3H3,(H2,13,19,20).
What are the key properties of N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of -0.21, 4 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-(sulfamoylmethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 168681555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).