1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea

C13H19F3N2O2S — CID 19813500

IUPAC1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea
SMILESCC(c1ccc(CCCCCC(F)(F)F)s1)N(O)C(N)=O
InChIInChI=1S/C13H19F3N2O2S/c1-9(18(20)12(17)19)11-7-6-10(21-11)5-3-2-4-8-13(14,15)16/h6-7,9,20H,2-5,8H2,1H3,(H2,17,19)
InChIKeyQSKYXUZQTIDFJB-UHFFFAOYSA-N
MW324.37 g/mol
LogP4.24
Rot. Bonds7

About 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea

1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea (PubChem CID 19813500) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea
PubChem CID19813500
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC Name1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea
SMILESCC(c1ccc(CCCCCC(F)(F)F)s1)N(O)C(N)=O
InChIInChI=1S/C13H19F3N2O2S/c1-9(18(20)12(17)19)11-7-6-10(21-11)5-3-2-4-8-13(14,15)16/h6-7,9,20H,2-5,8H2,1H3,(H2,17,19)
InChIKeyQSKYXUZQTIDFJB-UHFFFAOYSA-N
XLogP4.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea 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

N-[1-(5-benzylthien-2-yl)ethyl]-N-hydroxyurea
CID 10660093
N-hydroxy-N-[1-(5-methylthien-2-yl)ethyl]urea
CID 10798098
N-hydroxy-N-[1-(5-phenylthien-2-yl)ethyl]urea
CID 10801450
N-[1-(2,2''-bithien-5-yl)ethyl]-N-hydroxyurea
CID 10754395
N-hydroxy-N-(1-{5-[(E)-2-phenylvinyl]thien-2-yl}ethyl)urea
CID 44301906
N-[1-(2,5-dimethylthien-3-yl)ethyl]-N-hydroxyurea
CID 10680149
N-hydroxy-N-(1-thien-2-ylethyl)urea
CID 10726208
N-hydroxy-N-[1-(3-methylthien-2-yl)ethyl]urea
CID 10821903
1-Hydroxy-1-(5-phenylthiothien-2-ylmethyl)urea
CID 10826621
1-Hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea
CID 23732148
1-Hydroxy-1-(1-thieno[3,2-b]thiophen-5-ylethyl)urea
CID 24019568
1-Hydroxy-1-[1-[5-(thiophen-2-ylmethyl)thiophen-2-yl]ethyl]urea
CID 10493187

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea (CID 19813500) is 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea is CC(c1ccc(CCCCCC(F)(F)F)s1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea?
The InChIKey is QSKYXUZQTIDFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-9(18(20)12(17)19)11-7-6-10(21-11)5-3-2-4-8-13(14,15)16/h6-7,9,20H,2-5,8H2,1H3,(H2,17,19).
What are the key properties of 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea?
1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea has a molecular weight of 324.37 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea is sourced from PubChem (CID 19813500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).