(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide

C12H19N3O2S — CID 124682967

IUPAC(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1nc(CNC(=O)[C@H]2C[C@@H](O)CN2)cs1
InChIInChI=1S/C12H19N3O2S/c1-7(2)12-15-8(6-18-12)4-14-11(17)10-3-9(16)5-13-10/h6-7,9-10,13,16H,3-5H2,1-2H3,(H,14,17)/t9-,10-/m1/s1
InChIKeyADDAGWYQUKNMLO-NXEZZACHSA-N
MW269.37 g/mol
LogP0.61
Rot. Bonds4

About (2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide

(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 124682967) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID124682967
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1nc(CNC(=O)[C@H]2C[C@@H](O)CN2)cs1
InChIInChI=1S/C12H19N3O2S/c1-7(2)12-15-8(6-18-12)4-14-11(17)10-3-9(16)5-13-10/h6-7,9-10,13,16H,3-5H2,1-2H3,(H,14,17)/t9-,10-/m1/s1
InChIKeyADDAGWYQUKNMLO-NXEZZACHSA-N
XLogP0.61
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 124682967) is (2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is CC(C)c1nc(CNC(=O)[C@H]2C[C@@H](O)CN2)cs1.
What is the InChIKey of (2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ADDAGWYQUKNMLO-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)12-15-8(6-18-12)4-14-11(17)10-3-9(16)5-13-10/h6-7,9-10,13,16H,3-5H2,1-2H3,(H,14,17)/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124682967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).