N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C13H13F3N2OS — CID 116812397

IUPACN-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOCCNc1ncc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C13H13F3N2OS/c1-19-6-5-17-12-18-8-11(20-12)9-3-2-4-10(7-9)13(14,15)16/h2-4,7-8H,5-6H2,1H3,(H,17,18)
InChIKeyIKBQPBDBWHKWGB-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.89
Rot. Bonds5

About N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 116812397) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID116812397
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC NameN-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCOCCNc1ncc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C13H13F3N2OS/c1-19-6-5-17-12-18-8-11(20-12)9-3-2-4-10(7-9)13(14,15)16/h2-4,7-8H,5-6H2,1H3,(H,17,18)
InChIKeyIKBQPBDBWHKWGB-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methoxyethylamino)-1,3-thiazol-5-yl]benzonitrile
CID 116812492
5-(3-cyclopropylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812420
5-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812431
5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812125
5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine
CID 116812134
5-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812467
N-methyl-N'-[5-(3-methylphenyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 90935667
N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine
CID 116812463
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906336
[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 66939465
2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133381734
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 116812397) is N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is COCCNc1ncc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is IKBQPBDBWHKWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-19-6-5-17-12-18-8-11(20-12)9-3-2-4-10(7-9)13(14,15)16/h2-4,7-8H,5-6H2,1H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 302.32 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 116812397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).