3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol

C8H9ClF3N3O2S — CID 88808131

IUPAC3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol
SMILES[O-][N+]1(c2ncc(Cl)s2)CN(CC(F)(F)F)CC1O
InChIInChI=1S/C8H9ClF3N3O2S/c9-5-1-13-7(18-5)15(17)4-14(2-6(15)16)3-8(10,11)12/h1,6,16H,2-4H2
InChIKeyNMRSPYMBFMAIRH-UHFFFAOYSA-N
MW303.69 g/mol
LogP1.76
Rot. Bonds2

About 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol

3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol (PubChem CID 88808131) has the molecular formula C8H9ClF3N3O2S and a molecular weight of 303.69 g/mol. Its IUPAC name is 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol.

Molecular Properties

Compound Name3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol
PubChem CID88808131
Molecular FormulaC8H9ClF3N3O2S
Molecular Weight303.69 g/mol
Exact Mass303.01
IUPAC Name3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol
SMILES[O-][N+]1(c2ncc(Cl)s2)CN(CC(F)(F)F)CC1O
InChIInChI=1S/C8H9ClF3N3O2S/c9-5-1-13-7(18-5)15(17)4-14(2-6(15)16)3-8(10,11)12/h1,6,16H,2-4H2
InChIKeyNMRSPYMBFMAIRH-UHFFFAOYSA-N
XLogP1.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol 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-(5-chloro-1,3-thiazol-2-yl)-1-hex-4-enyl-3-oxidoimidazolidin-3-ium-4-ol
CID 173450754
1-(2-bromoethyl)-3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-ol
CID 88805546
N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine
CID 121184370
2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol
CID 123520023
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine-2-carbothioamide
CID 62967061
1-[[(3R,4R)-1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 72870368
(6-chloropyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106550933
2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol
CID 123585967
5-chloro-2-[(5R)-3-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-4-amine
CID 139405202
(1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 107126160
5-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 104973764
1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 104973704

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol?
The IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol (CID 88808131) is 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol.
What is the SMILES notation for 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol?
The canonical SMILES for 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol is [O-][N+]1(c2ncc(Cl)s2)CN(CC(F)(F)F)CC1O.
What is the InChIKey of 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol?
The InChIKey is NMRSPYMBFMAIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O2S/c9-5-1-13-7(18-5)15(17)4-14(2-6(15)16)3-8(10,11)12/h1,6,16H,2-4H2.
What are the key properties of 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol?
3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol has a molecular weight of 303.69 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol is sourced from PubChem (CID 88808131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).