3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione

C14H13F3N4O2S — CID 133320917

IUPAC3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCNc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C14H13F3N4O2S/c15-14(16,17)8-2-3-10-9(6-8)20-12(24-10)18-4-1-5-21-11(22)7-19-13(21)23/h2-3,6H,1,4-5,7H2,(H,18,20)(H,19,23)
InChIKeyUQPKRCBYMNSWGM-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.67
Rot. Bonds5

About 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione

3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione (PubChem CID 133320917) has the molecular formula C14H13F3N4O2S and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione
PubChem CID133320917
Molecular FormulaC14H13F3N4O2S
Molecular Weight358.35 g/mol
Exact Mass358.07
IUPAC Name3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCNc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C14H13F3N4O2S/c15-14(16,17)8-2-3-10-9(6-8)20-12(24-10)18-4-1-5-21-11(22)7-19-13(21)23/h2-3,6H,1,4-5,7H2,(H,18,20)(H,19,23)
InChIKeyUQPKRCBYMNSWGM-UHFFFAOYSA-N
XLogP2.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]butanamide
CID 60864153
N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethane-1,2-diamine
CID 43247437
N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247444
methyl 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetate
CID 43135001
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 64596986
N-(2-methylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63547160
N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 107414302
N-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 174918233
N-(2-methyl-3-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63958665
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 133318037
N-(1-chloroazetidin-3-yl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 140893601
N-(1,4-dioxan-2-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 61024765

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione (CID 133320917) is 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCNc1nc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione?
The InChIKey is UQPKRCBYMNSWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S/c15-14(16,17)8-2-3-10-9(6-8)20-12(24-10)18-4-1-5-21-11(22)7-19-13(21)23/h2-3,6H,1,4-5,7H2,(H,18,20)(H,19,23).
What are the key properties of 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione?
3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione has a molecular weight of 358.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 133320917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).