4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one

C13H21N3O4S — CID 121324944

IUPAC4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one
SMILESCCOC1C(O)N(c2ncc(C(C)(C)OC)s2)C(=O)N1C
InChIInChI=1S/C13H21N3O4S/c1-6-20-10-9(17)16(12(18)15(10)4)11-14-7-8(21-11)13(2,3)19-5/h7,9-10,17H,6H2,1-5H3
InChIKeyKDGCGIFVHCZJII-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.58
Rot. Bonds5

About 4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one

4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one (PubChem CID 121324944) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one
PubChem CID121324944
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one
SMILESCCOC1C(O)N(c2ncc(C(C)(C)OC)s2)C(=O)N1C
InChIInChI=1S/C13H21N3O4S/c1-6-20-10-9(17)16(12(18)15(10)4)11-14-7-8(21-11)13(2,3)19-5/h7,9-10,17H,6H2,1-5H3
InChIKeyKDGCGIFVHCZJII-UHFFFAOYSA-N
XLogP1.58
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one (CID 121324944) is 4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one is CCOC1C(O)N(c2ncc(C(C)(C)OC)s2)C(=O)N1C.
What is the InChIKey of 4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one?
The InChIKey is KDGCGIFVHCZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-6-20-10-9(17)16(12(18)15(10)4)11-14-7-8(21-11)13(2,3)19-5/h7,9-10,17H,6H2,1-5H3.
What are the key properties of 4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one?
4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one has a molecular weight of 315.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-hydroxy-1-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 121324944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).