2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C11H7F3N2OS — CID 154323409

IUPAC2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)sc1C(F)(F)F
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)8-7(9(15)17)16-10(18-8)6-4-2-1-3-5-6/h1-5H,(H2,15,17)
InChIKeyFYBVDVPDWFYHLQ-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.93
Rot. Bonds2

About 2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide

2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 154323409) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID154323409
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC Name2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)sc1C(F)(F)F
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)8-7(9(15)17)16-10(18-8)6-4-2-1-3-5-6/h1-5H,(H2,15,17)
InChIKeyFYBVDVPDWFYHLQ-UHFFFAOYSA-N
XLogP2.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 154323409) is 2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2ccccc2)sc1C(F)(F)F.
What is the InChIKey of 2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FYBVDVPDWFYHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-11(13,14)8-7(9(15)17)16-10(18-8)6-4-2-1-3-5-6/h1-5H,(H2,15,17).
What are the key properties of 2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 272.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 154323409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).