(5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione

C11H13N3O2S — CID 99797363

IUPAC(5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione
SMILESCc1csc(N2C(=O)[C@H](C)N(C3CC3)C2=O)n1
InChIInChI=1S/C11H13N3O2S/c1-6-5-17-10(12-6)14-9(15)7(2)13(11(14)16)8-3-4-8/h5,7-8H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyWBKBXWPYVVZPRH-ZETCQYMHSA-N
MW251.31 g/mol
LogP1.77
Rot. Bonds2

About (5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione

(5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione (PubChem CID 99797363) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is (5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione
PubChem CID99797363
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name(5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione
SMILESCc1csc(N2C(=O)[C@H](C)N(C3CC3)C2=O)n1
InChIInChI=1S/C11H13N3O2S/c1-6-5-17-10(12-6)14-9(15)7(2)13(11(14)16)8-3-4-8/h5,7-8H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyWBKBXWPYVVZPRH-ZETCQYMHSA-N
XLogP1.77
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione (CID 99797363) is (5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione is Cc1csc(N2C(=O)[C@H](C)N(C3CC3)C2=O)n1.
What is the InChIKey of (5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione?
The InChIKey is WBKBXWPYVVZPRH-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-6-5-17-10(12-6)14-9(15)7(2)13(11(14)16)8-3-4-8/h5,7-8H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of (5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione?
(5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione has a molecular weight of 251.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-cyclopropyl-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 99797363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).