(4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one

C9H13N3OS — CID 178196581

IUPAC(4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
SMILESCc1ncsc1[C@H]1[C@H](N)CC(=O)N1C
InChIInChI=1S/C9H13N3OS/c1-5-9(14-4-11-5)8-6(10)3-7(13)12(8)2/h4,6,8H,3,10H2,1-2H3/t6-,8-/m1/s1
InChIKeyQDJVZKKFHORCHQ-HTRCEHHLSA-N
MW211.29 g/mol
LogP0.68
Rot. Bonds1

About (4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one

(4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one (PubChem CID 178196581) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
PubChem CID178196581
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
SMILESCc1ncsc1[C@H]1[C@H](N)CC(=O)N1C
InChIInChI=1S/C9H13N3OS/c1-5-9(14-4-11-5)8-6(10)3-7(13)12(8)2/h4,6,8H,3,10H2,1-2H3/t6-,8-/m1/s1
InChIKeyQDJVZKKFHORCHQ-HTRCEHHLSA-N
XLogP0.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1-pyrrolidinyl)ethyl]propanamide
CID 70776471
N-(1-cycloheptyl-5-oxo-3-pyrrolidinyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 45224701
(1S*,6R*)-9-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 50961659
rel-(3R,4S)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-4-propyl-3-pyrrolidinamine hydrochloride
CID 72940876
N-cyclopentyl-2-(4-ethyl-1,3-thiazol-5-yl)-2-(methylamino)acetamide
CID 141978852
N-cyclohept-4-en-1-yl-2-(4-ethyl-1,3-thiazol-5-yl)-2-(methylamino)acetamide
CID 141979040
N-cyclohex-3-en-1-yl-2-(4-ethyl-1,3-thiazol-5-yl)-2-(methylamino)acetamide
CID 141979236
4-(4-Methyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
CID 175882387
3-[1-(4-Methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768094
3-[1-(4-Methyl-1,3-thiazol-5-yl)ethylamino]azepan-2-one
CID 43782094
1-[2-[1-(4-Methyl-1,3-thiazol-5-yl)ethylamino]propyl]pyrrolidin-2-one
CID 54865802
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61363906

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one (CID 178196581) is (4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one is Cc1ncsc1[C@H]1[C@H](N)CC(=O)N1C.
What is the InChIKey of (4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
The InChIKey is QDJVZKKFHORCHQ-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-5-9(14-4-11-5)8-6(10)3-7(13)12(8)2/h4,6,8H,3,10H2,1-2H3/t6-,8-/m1/s1.
What are the key properties of (4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one?
(4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one has a molecular weight of 211.29 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 178196581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).