4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one

C13H21N3O3S — CID 106189128

IUPAC4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one
SMILESCc1ncsc1CCOCC(O)CNC1CNC(=O)C1
InChIInChI=1S/C13H21N3O3S/c1-9-12(20-8-16-9)2-3-19-7-11(17)6-14-10-4-13(18)15-5-10/h8,10-11,14,17H,2-7H2,1H3,(H,15,18)
InChIKeySUXVMWROPXRWAS-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.15
Rot. Bonds8

About 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one

4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one (PubChem CID 106189128) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one
PubChem CID106189128
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one
SMILESCc1ncsc1CCOCC(O)CNC1CNC(=O)C1
InChIInChI=1S/C13H21N3O3S/c1-9-12(20-8-16-9)2-3-19-7-11(17)6-14-10-4-13(18)15-5-10/h8,10-11,14,17H,2-7H2,1H3,(H,15,18)
InChIKeySUXVMWROPXRWAS-UHFFFAOYSA-N
XLogP-0.15
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2,3-dimethylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 64909984
1-[(2-methylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 63281619
1-(2-methylpropylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 60635617
1-(2,2-difluoroethylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 115406578
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol
CID 64911001
1-[2-[methyl(propan-2-yl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 62642692
2-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]-N,N-dimethylacetamide
CID 60901617
4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 106188976
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 62977404
4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
CID 106188968
3-[[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]methyl]pentan-3-ol
CID 65111546
1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 114467258

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one (CID 106189128) is 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one is Cc1ncsc1CCOCC(O)CNC1CNC(=O)C1.
What is the InChIKey of 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one?
The InChIKey is SUXVMWROPXRWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-12(20-8-16-9)2-3-19-7-11(17)6-14-10-4-13(18)15-5-10/h8,10-11,14,17H,2-7H2,1H3,(H,15,18).
What are the key properties of 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one?
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one has a molecular weight of 299.40 g/mol, XLogP of -0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106189128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).