3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione

C13H15F2N3O2S — CID 100638102

IUPAC3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1nc(C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C13H15F2N3O2S/c14-13(15)3-1-8(2-4-13)9-7-21-10(17-9)6-18-11(19)5-16-12(18)20/h7-8H,1-6H2,(H,16,20)
InChIKeyWTNFBKVAEWQJEC-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.49
Rot. Bonds3

About 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione

3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 100638102) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID100638102
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1nc(C2CCC(F)(F)CC2)cs1
InChIInChI=1S/C13H15F2N3O2S/c14-13(15)3-1-8(2-4-13)9-7-21-10(17-9)6-18-11(19)5-16-12(18)20/h7-8H,1-6H2,(H,16,20)
InChIKeyWTNFBKVAEWQJEC-UHFFFAOYSA-N
XLogP2.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione (CID 100638102) is 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1Cc1nc(C2CCC(F)(F)CC2)cs1.
What is the InChIKey of 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is WTNFBKVAEWQJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c14-13(15)3-1-8(2-4-13)9-7-21-10(17-9)6-18-11(19)5-16-12(18)20/h7-8H,1-6H2,(H,16,20).
What are the key properties of 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 315.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 100638102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).