N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C14H21N3O2S — CID 42595855

IUPACN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C14H21N3O2S/c1-9-12(20-8-15-9)13(19)16-10-5-11(18)17(6-10)7-14(2,3)4/h8,10H,5-7H2,1-4H3,(H,16,19)/t10-/m0/s1
InChIKeyRHFOLUXNCOFVMB-JTQLQIEISA-N
MW295.41 g/mol
LogP1.83
Rot. Bonds3

About N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 42595855) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID42595855
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C14H21N3O2S/c1-9-12(20-8-15-9)13(19)16-10-5-11(18)17(6-10)7-14(2,3)4/h8,10H,5-7H2,1-4H3,(H,16,19)/t10-/m0/s1
InChIKeyRHFOLUXNCOFVMB-JTQLQIEISA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71667381
4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)formamido]acetamide
CID 47209159
4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 45823337
4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 45823479
N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035706
4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47035721
N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47076990
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208452
4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 47210198
tert-butyl N-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]carbamate
CID 47453269
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448741

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 42595855) is N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1.
What is the InChIKey of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RHFOLUXNCOFVMB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-12(20-8-15-9)13(19)16-10-5-11(18)17(6-10)7-14(2,3)4/h8,10H,5-7H2,1-4H3,(H,16,19)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42595855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).