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

C11H8F3N3OS — CID 141271063

IUPAC2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-2-1-3-7(4-6)17-9(18)8-5-16-10(15)19-8/h1-5H,(H2,15,16)(H,17,18)
InChIKeyDTXIGULEDWPNJP-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.00
Rot. Bonds2

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

2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 141271063) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID141271063
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-2-1-3-7(4-6)17-9(18)8-5-16-10(15)19-8/h1-5H,(H2,15,16)(H,17,18)
InChIKeyDTXIGULEDWPNJP-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 107377456
4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride
CID 90485584
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide
CID 20966316
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81240010
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107073831
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 141271063) is 2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Nc1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DTXIGULEDWPNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)6-2-1-3-7(4-6)17-9(18)8-5-16-10(15)19-8/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141271063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).