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

C11H7F3N2O2S — CID 87960107

IUPACN-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide
SMILESO=CN(c1ccc(OC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C11H7F3N2O2S/c12-11(13,14)18-9-3-1-8(2-4-9)16(7-17)10-15-5-6-19-10/h1-7H
InChIKeyMRZHDWQGENHSSJ-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.34
Rot. Bonds4

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

N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide (PubChem CID 87960107) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide
PubChem CID87960107
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC NameN-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide
SMILESO=CN(c1ccc(OC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C11H7F3N2O2S/c12-11(13,14)18-9-3-1-8(2-4-9)16(7-17)10-15-5-6-19-10/h1-7H
InChIKeyMRZHDWQGENHSSJ-UHFFFAOYSA-N
XLogP3.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
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-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide (CID 87960107) is N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide is O=CN(c1ccc(OC(F)(F)F)cc1)c1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide?
The InChIKey is MRZHDWQGENHSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c12-11(13,14)18-9-3-1-8(2-4-9)16(7-17)10-15-5-6-19-10/h1-7H.
What are the key properties of N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide?
N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide has a molecular weight of 288.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]formamide is sourced from PubChem (CID 87960107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).