5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one

C18H26N4O3S — CID 129342724

IUPAC5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2csc([C@H]3CCCO3)n2)c1=O
InChIInChI=1S/C18H26N4O3S/c1-11(2)22-16(15-12(3)6-8-25-15)20-21(18(22)23)9-13-10-26-17(19-13)14-5-4-7-24-14/h10-12,14-15H,4-9H2,1-3H3/t12-,14-,15+/m1/s1
InChIKeyUWLLURWZXYDGDZ-YUELXQCFSA-N
MW378.50 g/mol
LogP3.08
Rot. Bonds5

About 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one

5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 129342724) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID129342724
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2csc([C@H]3CCCO3)n2)c1=O
InChIInChI=1S/C18H26N4O3S/c1-11(2)22-16(15-12(3)6-8-25-15)20-21(18(22)23)9-13-10-26-17(19-13)14-5-4-7-24-14/h10-12,14-15H,4-9H2,1-3H3/t12-,14-,15+/m1/s1
InChIKeyUWLLURWZXYDGDZ-YUELXQCFSA-N
XLogP3.08
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 129003747
2-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-1,2,4-triazol-3-one
CID 154753535
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 129003392
4-ethyl-2-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-1,2,4-triazol-3-one
CID 129336229
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 65328335
(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine
CID 86782178
6-oxo-1-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-N-prop-2-ynylpyridine-3-carboxamide
CID 97327986
6-fluoro-3-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 167829329
N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 65328319
1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol
CID 65328718
(R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol
CID 99635029

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one (CID 129342724) is 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one is CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2csc([C@H]3CCCO3)n2)c1=O.
What is the InChIKey of 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is UWLLURWZXYDGDZ-YUELXQCFSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-11(2)22-16(15-12(3)6-8-25-15)20-21(18(22)23)9-13-10-26-17(19-13)14-5-4-7-24-14/h10-12,14-15H,4-9H2,1-3H3/t12-,14-,15+/m1/s1.
What are the key properties of 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one?
5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 378.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-4-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 129342724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).