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

C17H26N4O3S — CID 129003747

IUPAC2-[[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
SMILESCOC(C)c1nc(Cn2nc([C@H]3OCC[C@H]3C)n(C(C)C)c2=O)cs1
InChIInChI=1S/C17H26N4O3S/c1-10(2)21-15(14-11(3)6-7-24-14)19-20(17(21)22)8-13-9-25-16(18-13)12(4)23-5/h9-12,14H,6-8H2,1-5H3/t11-,12?,14+/m1/s1
InChIKeyQHNHNMBNOXGSML-SOGVLRHJSA-N
MW366.49 g/mol
LogP2.94
Rot. Bonds6

About 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

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 (PubChem CID 129003747) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID129003747
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-[[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
SMILESCOC(C)c1nc(Cn2nc([C@H]3OCC[C@H]3C)n(C(C)C)c2=O)cs1
InChIInChI=1S/C17H26N4O3S/c1-10(2)21-15(14-11(3)6-7-24-14)19-20(17(21)22)8-13-9-25-16(18-13)12(4)23-5/h9-12,14H,6-8H2,1-5H3/t11-,12?,14+/m1/s1
InChIKeyQHNHNMBNOXGSML-SOGVLRHJSA-N
XLogP2.94
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(C)c1nc(Cn2nc([C@H]3OCC[C@H]3C)n(C(C)C)c2=O)cs1.
What is the InChIKey of 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?
The InChIKey is QHNHNMBNOXGSML-SOGVLRHJSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-10(2)21-15(14-11(3)6-7-24-14)19-20(17(21)22)8-13-9-25-16(18-13)12(4)23-5/h9-12,14H,6-8H2,1-5H3/t11-,12?,14+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 366.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129003747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).