4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride

C11H9ClF3N3OS — CID 90485584

IUPAC4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride
SMILESCl.Nc1csnc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N3OS.ClH/c12-11(13,14)6-2-1-3-7(4-6)16-10(18)9-8(15)5-19-17-9;/h1-5H,15H2,(H,16,18);1H
InChIKeyIZBGPWOWUKOXEV-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.42
Rot. Bonds2

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

4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride (PubChem CID 90485584) has the molecular formula C11H9ClF3N3OS and a molecular weight of 323.73 g/mol. Its IUPAC name is 4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride
PubChem CID90485584
Molecular FormulaC11H9ClF3N3OS
Molecular Weight323.73 g/mol
Exact Mass323.01
IUPAC Name4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride
SMILESCl.Nc1csnc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N3OS.ClH/c12-11(13,14)6-2-1-3-7(4-6)16-10(18)9-8(15)5-19-17-9;/h1-5H,15H2,(H,16,18);1H
InChIKeyIZBGPWOWUKOXEV-UHFFFAOYSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 7348563
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 141271063
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
3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
CID 6989867
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135153514
3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1486828
4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135153632
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride (CID 90485584) is 4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride is Cl.Nc1csnc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride?
The InChIKey is IZBGPWOWUKOXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS.ClH/c12-11(13,14)6-2-1-3-7(4-6)16-10(18)9-8(15)5-19-17-9;/h1-5H,15H2,(H,16,18);1H.
What are the key properties of 4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride?
4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride has a molecular weight of 323.73 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 90485584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).