O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine

C11H9F3N2OS — CID 67132095

IUPACO-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
SMILESNOCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)8-3-1-7(2-4-8)10-16-9(5-17-15)6-18-10/h1-4,6H,5,15H2
InChIKeyMMHUDUFCBDONJT-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.22
Rot. Bonds3

About O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine

O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine (PubChem CID 67132095) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
PubChem CID67132095
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC NameO-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
SMILESNOCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)8-3-1-7(2-4-8)10-16-9(5-17-15)6-18-10/h1-4,6H,5,15H2
InChIKeyMMHUDUFCBDONJT-UHFFFAOYSA-N
XLogP3.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine 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

O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine
CID 39241502
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760
N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide
CID 134028040
[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 78880752
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160

Frequently Asked Questions

What is the IUPAC name of O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
The IUPAC name of O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine (CID 67132095) is O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine is NOCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
The InChIKey is MMHUDUFCBDONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c12-11(13,14)8-3-1-7(2-4-8)10-16-9(5-17-15)6-18-10/h1-4,6H,5,15H2.
What are the key properties of O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine?
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine has a molecular weight of 274.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine is sourced from PubChem (CID 67132095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).