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

C11H8F3N3OS — CID 13073260

IUPAC4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide
SMILESNC(=O)c1snc(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-3-1-2-5(4-6)8-7(15)9(10(16)18)19-17-8/h1-4H,15H2,(H2,16,18)
InChIKeyLCGULSFATWIKSE-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.51
Rot. Bonds2

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

4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide (PubChem CID 13073260) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide
PubChem CID13073260
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide
SMILESNC(=O)c1snc(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-3-1-2-5(4-6)8-7(15)9(10(16)18)19-17-8/h1-4H,15H2,(H2,16,18)
InChIKeyLCGULSFATWIKSE-UHFFFAOYSA-N
XLogP2.51
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide (CID 13073260) is 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide is NC(=O)c1snc(-c2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide?
The InChIKey is LCGULSFATWIKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)6-3-1-2-5(4-6)8-7(15)9(10(16)18)19-17-8/h1-4H,15H2,(H2,16,18).
What are the key properties of 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide?
4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 13073260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).