N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline

C12H11F3N2OS — CID 28780955

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
SMILESCc1nc(CNc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H11F3N2OS/c1-8-17-10(7-19-8)6-16-9-2-4-11(5-3-9)18-12(13,14)15/h2-5,7,16H,6H2,1H3
InChIKeyUDDIHMCXWHJBIY-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.96
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline (PubChem CID 28780955) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
PubChem CID28780955
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
SMILESCc1nc(CNc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H11F3N2OS/c1-8-17-10(7-19-8)6-16-9-2-4-11(5-3-9)18-12(13,14)15/h2-5,7,16H,6H2,1H3
InChIKeyUDDIHMCXWHJBIY-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline 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-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4305027
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532889
2-ethynyl-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 168270993
US11033539, Cpd. No. 11-4
CID 162370336
N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinamine
CID 24790504
1-[4-(1-Amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 49778211
N-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 7541017
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30486287
1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 56800885
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine
CID 56800886
2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 56810315
4-[2-(4-Methyl-1,3-thiazol-5-YL)ethoxy]aniline
CID 19626869

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline (CID 28780955) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline is Cc1nc(CNc2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline?
The InChIKey is UDDIHMCXWHJBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-8-17-10(7-19-8)6-16-9-2-4-11(5-3-9)18-12(13,14)15/h2-5,7,16H,6H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline has a molecular weight of 288.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 28780955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).