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

C11H17N3OS — CID 178196647

IUPAC(4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCc1nc([C@H]2[C@H](N)CC(=O)N2C(C)C)cs1
InChIInChI=1S/C11H17N3OS/c1-6(2)14-10(15)4-8(12)11(14)9-5-16-7(3)13-9/h5-6,8,11H,4,12H2,1-3H3/t8-,11-/m1/s1
InChIKeyUINCYCUOZGGQDC-LDYMZIIASA-N
MW239.34 g/mol
LogP1.46
Rot. Bonds2

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

(4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 178196647) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID178196647
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCc1nc([C@H]2[C@H](N)CC(=O)N2C(C)C)cs1
InChIInChI=1S/C11H17N3OS/c1-6(2)14-10(15)4-8(12)11(14)9-5-16-7(3)13-9/h5-6,8,11H,4,12H2,1-3H3/t8-,11-/m1/s1
InChIKeyUINCYCUOZGGQDC-LDYMZIIASA-N
XLogP1.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.46
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-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one (CID 178196647) is (4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one is Cc1nc([C@H]2[C@H](N)CC(=O)N2C(C)C)cs1.
What is the InChIKey of (4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is UINCYCUOZGGQDC-LDYMZIIASA-N. The full InChI is InChI=1S/C11H17N3OS/c1-6(2)14-10(15)4-8(12)11(14)9-5-16-7(3)13-9/h5-6,8,11H,4,12H2,1-3H3/t8-,11-/m1/s1.
What are the key properties of (4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
(4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 239.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 178196647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).