N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide

C11H8F3N3OS — CID 171782810

IUPACN-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide
SMILESO=CNc1cccc(Nc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)9-5-19-10(17-9)16-8-3-1-2-7(4-8)15-6-18/h1-6H,(H,15,18)(H,16,17)
InChIKeyGMAXRBTWLSHWDS-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.47
Rot. Bonds4

About N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide

N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide (PubChem CID 171782810) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide.

Molecular Properties

Compound NameN-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide
PubChem CID171782810
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC NameN-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide
SMILESO=CNc1cccc(Nc2nc(C(F)(F)F)cs2)c1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)9-5-19-10(17-9)16-8-3-1-2-7(4-8)15-6-18/h1-6H,(H,15,18)(H,16,17)
InChIKeyGMAXRBTWLSHWDS-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide?
The IUPAC name of N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide (CID 171782810) is N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide.
What is the SMILES notation for N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide?
The canonical SMILES for N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide is O=CNc1cccc(Nc2nc(C(F)(F)F)cs2)c1.
What is the InChIKey of N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide?
The InChIKey is GMAXRBTWLSHWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)9-5-19-10(17-9)16-8-3-1-2-7(4-8)15-6-18/h1-6H,(H,15,18)(H,16,17).
What are the key properties of N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide?
N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide has a molecular weight of 287.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide is sourced from PubChem (CID 171782810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).