(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C16H16FN3O2S — CID 97002751

IUPAC(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)sc1C
InChIInChI=1S/C16H16FN3O2S/c1-9-11(3)23-14(18-9)8-19-15(21)10(2)20(16(19)22)13-6-4-12(17)5-7-13/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyOKPGGUUWMLXAFB-JTQLQIEISA-N
MW333.39 g/mol
LogP3.26
Rot. Bonds3

About (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 97002751) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID97002751
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1nc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)sc1C
InChIInChI=1S/C16H16FN3O2S/c1-9-11(3)23-14(18-9)8-19-15(21)10(2)20(16(19)22)13-6-4-12(17)5-7-13/h4-7,10H,8H2,1-3H3/t10-/m0/s1
InChIKeyOKPGGUUWMLXAFB-JTQLQIEISA-N
XLogP3.26
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.26
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)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 97002751) is (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is Cc1nc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)sc1C.
What is the InChIKey of (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is OKPGGUUWMLXAFB-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-9-11(3)23-14(18-9)8-19-15(21)10(2)20(16(19)22)13-6-4-12(17)5-7-13/h4-7,10H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 97002751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).