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

C18H11F6N3OS — CID 39115623

IUPAC2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2ccccc2)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C18H11F6N3OS/c19-17(20,21)10-6-11(18(22,23)24)8-12(7-10)26-15(28)14-13(27-16(25)29-14)9-4-2-1-3-5-9/h1-8H,(H2,25,27)(H,26,28)
InChIKeyXPEIXZSZUFIIJA-UHFFFAOYSA-N
MW431.36 g/mol
LogP5.68
Rot. Bonds3

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

2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 39115623) has the molecular formula C18H11F6N3OS and a molecular weight of 431.36 g/mol. Its IUPAC name is 2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID39115623
Molecular FormulaC18H11F6N3OS
Molecular Weight431.36 g/mol
Exact Mass431.05
IUPAC Name2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2ccccc2)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C18H11F6N3OS/c19-17(20,21)10-6-11(18(22,23)24)8-12(7-10)26-15(28)14-13(27-16(25)29-14)9-4-2-1-3-5-9/h1-8H,(H2,25,27)(H,26,28)
InChIKeyXPEIXZSZUFIIJA-UHFFFAOYSA-N
XLogP5.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39194626
2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115643
2-amino-4-phenyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 39115626
2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425
ethane;1-N-(4-fluorophenyl)-1-N'-[4-phenyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]cyclopropane-1,1-dicarboxamide
CID 156828699
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide (CID 39115623) is 2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide is Nc1nc(-c2ccccc2)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is XPEIXZSZUFIIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3OS/c19-17(20,21)10-6-11(18(22,23)24)8-12(7-10)26-15(28)14-13(27-16(25)29-14)9-4-2-1-3-5-9/h1-8H,(H2,25,27)(H,26,28).
What are the key properties of 2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide?
2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 431.36 g/mol, XLogP of 5.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39115623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).