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

C11H7BrF3N3OS — CID 62788227

IUPAC2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)cs1
InChIInChI=1S/C11H7BrF3N3OS/c12-5-1-2-7(6(3-5)11(13,14)15)17-9(19)8-4-20-10(16)18-8/h1-4H,(H2,16,18)(H,17,19)
InChIKeyMDSSYCDIVHVDEO-UHFFFAOYSA-N
MW366.16 g/mol
LogP3.76
Rot. Bonds2

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

2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62788227) has the molecular formula C11H7BrF3N3OS and a molecular weight of 366.16 g/mol. Its IUPAC name is 2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62788227
Molecular FormulaC11H7BrF3N3OS
Molecular Weight366.16 g/mol
Exact Mass364.94
IUPAC Name2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)cs1
InChIInChI=1S/C11H7BrF3N3OS/c12-5-1-2-7(6(3-5)11(13,14)15)17-9(19)8-4-20-10(16)18-8/h1-4H,(H2,16,18)(H,17,19)
InChIKeyMDSSYCDIVHVDEO-UHFFFAOYSA-N
XLogP3.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376863
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788040
2-amino-N-(4-bromo-2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62789270
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65199742
5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 60792710
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66475257
2-amino-N-(4-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788574
2-amino-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 62786642
2-amino-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 55116387
2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788906
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
CID 81228966

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 62788227) is 2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)cs1.
What is the InChIKey of 2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MDSSYCDIVHVDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3OS/c12-5-1-2-7(6(3-5)11(13,14)15)17-9(19)8-4-20-10(16)18-8/h1-4H,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 366.16 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).