[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone

C15H25N3O2S — CID 72869422

IUPAC[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
SMILESCCc1nc(C)sc1C(=O)N1C[C@@H](CN(C)C)[C@@H](CO)C1
InChIInChI=1S/C15H25N3O2S/c1-5-13-14(21-10(2)16-13)15(20)18-7-11(6-17(3)4)12(8-18)9-19/h11-12,19H,5-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyIGAJXIVAMXEWDH-VXGBXAGGSA-N
MW311.45 g/mol
LogP1.26
Rot. Bonds5

About [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone

[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 72869422) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID72869422
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
SMILESCCc1nc(C)sc1C(=O)N1C[C@@H](CN(C)C)[C@@H](CO)C1
InChIInChI=1S/C15H25N3O2S/c1-5-13-14(21-10(2)16-13)15(20)18-7-11(6-17(3)4)12(8-18)9-19/h11-12,19H,5-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyIGAJXIVAMXEWDH-VXGBXAGGSA-N
XLogP1.26
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone (CID 72869422) is [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone is CCc1nc(C)sc1C(=O)N1C[C@@H](CN(C)C)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is IGAJXIVAMXEWDH-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-13-14(21-10(2)16-13)15(20)18-7-11(6-17(3)4)12(8-18)9-19/h11-12,19H,5-9H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone?
[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 311.45 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 72869422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).