2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide

C11H8F3N3OS2 — CID 62788906

IUPAC2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccccc2SC(F)(F)F)cs1
InChIInChI=1S/C11H8F3N3OS2/c12-11(13,14)20-8-4-2-1-3-6(8)16-9(18)7-5-19-10(15)17-7/h1-5H,(H2,15,17)(H,16,18)
InChIKeyBSCLYSUAHJBFRE-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.59
Rot. Bonds3

About 2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide

2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62788906) has the molecular formula C11H8F3N3OS2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62788906
Molecular FormulaC11H8F3N3OS2
Molecular Weight319.33 g/mol
Exact Mass319.01
IUPAC Name2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccccc2SC(F)(F)F)cs1
InChIInChI=1S/C11H8F3N3OS2/c12-11(13,14)20-8-4-2-1-3-6(8)16-9(18)7-5-19-10(15)17-7/h1-5H,(H2,15,17)(H,16,18)
InChIKeyBSCLYSUAHJBFRE-UHFFFAOYSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide (CID 62788906) is 2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccccc2SC(F)(F)F)cs1.
What is the InChIKey of 2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BSCLYSUAHJBFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS2/c12-11(13,14)20-8-4-2-1-3-6(8)16-9(18)7-5-19-10(15)17-7/h1-5H,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).