2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C18H14F3N3OS — CID 117088259

IUPAC2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESNc1cccc(-c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)s2)c1
InChIInChI=1S/C18H14F3N3OS/c19-18(20,21)13-5-1-3-11(7-13)9-23-16(25)15-10-24-17(26-15)12-4-2-6-14(22)8-12/h1-8,10H,9,22H2,(H,23,25)
InChIKeyYZTCFLHEFZFAIG-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.34
Rot. Bonds4

About 2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 117088259) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID117088259
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESNc1cccc(-c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)s2)c1
InChIInChI=1S/C18H14F3N3OS/c19-18(20,21)13-5-1-3-11(7-13)9-23-16(25)15-10-24-17(26-15)12-4-2-6-14(22)8-12/h1-8,10H,9,22H2,(H,23,25)
InChIKeyYZTCFLHEFZFAIG-UHFFFAOYSA-N
XLogP4.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 117088259) is 2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is Nc1cccc(-c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)s2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YZTCFLHEFZFAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c19-18(20,21)13-5-1-3-11(7-13)9-23-16(25)15-10-24-17(26-15)12-4-2-6-14(22)8-12/h1-8,10H,9,22H2,(H,23,25).
What are the key properties of 2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117088259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).