3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione

C17H15F2N3O2S — CID 138994625

IUPAC3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2F)NC(=O)N(Cc2csc(C3CC3)n2)C1=O
InChIInChI=1S/C17H15F2N3O2S/c1-17(12-5-4-10(18)6-13(12)19)15(23)22(16(24)21-17)7-11-8-25-14(20-11)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,21,24)
InChIKeySMZRUUGRSUOPIN-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.27
Rot. Bonds4

About 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione

3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 138994625) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID138994625
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2F)NC(=O)N(Cc2csc(C3CC3)n2)C1=O
InChIInChI=1S/C17H15F2N3O2S/c1-17(12-5-4-10(18)6-13(12)19)15(23)22(16(24)21-17)7-11-8-25-14(20-11)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,21,24)
InChIKeySMZRUUGRSUOPIN-UHFFFAOYSA-N
XLogP3.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
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 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 138994625) is 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)cc2F)NC(=O)N(Cc2csc(C3CC3)n2)C1=O.
What is the InChIKey of 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is SMZRUUGRSUOPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-17(12-5-4-10(18)6-13(12)19)15(23)22(16(24)21-17)7-11-8-25-14(20-11)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,21,24).
What are the key properties of 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 363.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 138994625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).