(3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one

C24H34N4O4S2 — CID 25420439

IUPAC(3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one
SMILESCCC[C@@H]1C[C@](C)(c2csc(NCCNc3nc([C@@]4(C)C[C@@H](CCC)C(=O)O4)cs3)n2)OC1=O
InChIInChI=1S/C24H34N4O4S2/c1-5-7-15-11-23(3,31-19(15)29)17-13-33-21(27-17)25-9-10-26-22-28-18(14-34-22)24(4)12-16(8-6-2)20(30)32-24/h13-16H,5-12H2,1-4H3,(H,25,27)(H,26,28)/t15-,16-,23-,24-/m1/s1
InChIKeyYDPNEVUYBDSEPN-KQACMCHDSA-N
MW506.69 g/mol
LogP5.28
Rot. Bonds11

About (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one

(3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one (PubChem CID 25420439) has the molecular formula C24H34N4O4S2 and a molecular weight of 506.69 g/mol. Its IUPAC name is (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one
PubChem CID25420439
Molecular FormulaC24H34N4O4S2
Molecular Weight506.69 g/mol
Exact Mass506.20
IUPAC Name(3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one
SMILESCCC[C@@H]1C[C@](C)(c2csc(NCCNc3nc([C@@]4(C)C[C@@H](CCC)C(=O)O4)cs3)n2)OC1=O
InChIInChI=1S/C24H34N4O4S2/c1-5-7-15-11-23(3,31-19(15)29)17-13-33-21(27-17)25-9-10-26-22-28-18(14-34-22)24(4)12-16(8-6-2)20(30)32-24/h13-16H,5-12H2,1-4H3,(H,25,27)(H,26,28)/t15-,16-,23-,24-/m1/s1
InChIKeyYDPNEVUYBDSEPN-KQACMCHDSA-N
XLogP5.28
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one?
The IUPAC name of (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one (CID 25420439) is (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one.
What is the SMILES notation for (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one?
The canonical SMILES for (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one is CCC[C@@H]1C[C@](C)(c2csc(NCCNc3nc([C@@]4(C)C[C@@H](CCC)C(=O)O4)cs3)n2)OC1=O.
What is the InChIKey of (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one?
The InChIKey is YDPNEVUYBDSEPN-KQACMCHDSA-N. The full InChI is InChI=1S/C24H34N4O4S2/c1-5-7-15-11-23(3,31-19(15)29)17-13-33-21(27-17)25-9-10-26-22-28-18(14-34-22)24(4)12-16(8-6-2)20(30)32-24/h13-16H,5-12H2,1-4H3,(H,25,27)(H,26,28)/t15-,16-,23-,24-/m1/s1.
What are the key properties of (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one?
(3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one has a molecular weight of 506.69 g/mol, XLogP of 5.28, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-5-[2-[2-[[4-[(2R,4R)-2-methyl-5-oxo-4-propyloxolan-2-yl]-1,3-thiazol-2-yl]amino]ethylamino]-1,3-thiazol-4-yl]-3-propyloxolan-2-one is sourced from PubChem (CID 25420439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).