(3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C8H11N3O2S — CID 94077578

IUPAC(3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CC(=O)N(C2=NCCS2)C1
InChIInChI=1S/C8H11N3O2S/c9-7(13)5-3-6(12)11(4-5)8-10-1-2-14-8/h5H,1-4H2,(H2,9,13)/t5-/m1/s1
InChIKeyPTBXDORXNIYWSK-RXMQYKEDSA-N
MW213.26 g/mol
LogP-0.58
Rot. Bonds1

About (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 94077578) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID94077578
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name(3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CC(=O)N(C2=NCCS2)C1
InChIInChI=1S/C8H11N3O2S/c9-7(13)5-3-6(12)11(4-5)8-10-1-2-14-8/h5H,1-4H2,(H2,9,13)/t5-/m1/s1
InChIKeyPTBXDORXNIYWSK-RXMQYKEDSA-N
XLogP-0.58
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697095
4-(azidomethyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168657098
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698527
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
1-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168695945
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696905
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696772
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 94077578) is (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is NC(=O)[C@@H]1CC(=O)N(C2=NCCS2)C1.
What is the InChIKey of (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PTBXDORXNIYWSK-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-7(13)5-3-6(12)11(4-5)8-10-1-2-14-8/h5H,1-4H2,(H2,9,13)/t5-/m1/s1.
What are the key properties of (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 213.26 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94077578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).