(5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione

C14H18F3N3O2S — CID 99839715

IUPAC(5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCc1nc(C(F)(F)F)c(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)s1
InChIInChI=1S/C14H18F3N3O2S/c1-7-18-9(14(15,16)17)8(23-7)6-20-10(21)13(5,12(2,3)4)19-11(20)22/h6H2,1-5H3,(H,19,22)/t13-/m1/s1
InChIKeyKYLXFYDEJWBBRV-CYBMUJFWSA-N
MW349.38 g/mol
LogP3.33
Rot. Bonds2

About (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione

(5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 99839715) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione
PubChem CID99839715
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC Name(5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCc1nc(C(F)(F)F)c(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)s1
InChIInChI=1S/C14H18F3N3O2S/c1-7-18-9(14(15,16)17)8(23-7)6-20-10(21)13(5,12(2,3)4)19-11(20)22/h6H2,1-5H3,(H,19,22)/t13-/m1/s1
InChIKeyKYLXFYDEJWBBRV-CYBMUJFWSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-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

Related Compounds

3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120967341
5-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 120967140
2-methyl-5-[[(2S)-2-methylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 120966684
2-methyl-5-[(2-methylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120966027
(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
CID 120966565
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 80611560
3-(3-aminopropyl)-5-tert-butyl-5-methylimidazolidine-2,4-dione
CID 82147925
4-[(4-tert-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CID 82148686
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120966121
N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86791160
3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64995013
N',2,2-trimethyl-N'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
CID 120966431

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione (CID 99839715) is (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione is Cc1nc(C(F)(F)F)c(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)s1.
What is the InChIKey of (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is KYLXFYDEJWBBRV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18F3N3O2S/c1-7-18-9(14(15,16)17)8(23-7)6-20-10(21)13(5,12(2,3)4)19-11(20)22/h6H2,1-5H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 349.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tert-butyl-5-methyl-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99839715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).