(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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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).