(4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one

C11H15N3O3S — CID 67208745

IUPAC(4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1nc(N2C[C@H](C)NC2=O)sc1C1OC(C)O1
InChIInChI=1S/C11H15N3O3S/c1-5-4-14(10(15)12-5)11-13-6(2)8(18-11)9-16-7(3)17-9/h5,7,9H,4H2,1-3H3,(H,12,15)/t5-,7?,9?/m0/s1
InChIKeyJRIYKRDKUZKFIJ-OGOFNEAQSA-N
MW269.33 g/mol
LogP1.76
Rot. Bonds2

About (4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one

(4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 67208745) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is (4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID67208745
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name(4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1nc(N2C[C@H](C)NC2=O)sc1C1OC(C)O1
InChIInChI=1S/C11H15N3O3S/c1-5-4-14(10(15)12-5)11-13-6(2)8(18-11)9-16-7(3)17-9/h5,7,9H,4H2,1-3H3,(H,12,15)/t5-,7?,9?/m0/s1
InChIKeyJRIYKRDKUZKFIJ-OGOFNEAQSA-N
XLogP1.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of (4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one (CID 67208745) is (4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one is Cc1nc(N2C[C@H](C)NC2=O)sc1C1OC(C)O1.
What is the InChIKey of (4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is JRIYKRDKUZKFIJ-OGOFNEAQSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-5-4-14(10(15)12-5)11-13-6(2)8(18-11)9-16-7(3)17-9/h5,7,9H,4H2,1-3H3,(H,12,15)/t5-,7?,9?/m0/s1.
What are the key properties of (4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one?
(4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 269.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1-[4-methyl-5-(4-methyl-1,3-dioxetan-2-yl)-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 67208745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).