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

C11H8F3N3O2S — CID 141271002

IUPAC2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)19-7-3-1-6(2-4-7)17-9(18)8-5-16-10(15)20-8/h1-5H,(H2,15,16)(H,17,18)
InChIKeyARPHHBUTNDOXQW-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.88
Rot. Bonds3

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

2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 141271002) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID141271002
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)19-7-3-1-6(2-4-7)17-9(18)8-5-16-10(15)20-8/h1-5H,(H2,15,16)(H,17,18)
InChIKeyARPHHBUTNDOXQW-UHFFFAOYSA-N
XLogP2.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
5-bromo-4-methyl-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 79999376
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-[(6-pyridin-3-yl-2-pyridinyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 169101817
3-amino-6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048212
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 23633023
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815244

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (CID 141271002) is 2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is Nc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of 2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ARPHHBUTNDOXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c12-11(13,14)19-7-3-1-6(2-4-7)17-9(18)8-5-16-10(15)20-8/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 303.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141271002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).