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

C19H16F3N3OS — CID 55671995

IUPACN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2csc(-c3ccccc3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3OS/c1-25(2)13-8-9-15(14(10-13)19(20,21)22)23-17(26)16-11-27-18(24-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,23,26)
InChIKeyPEFQLZXGHDKVRZ-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.15
Rot. Bonds4

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

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 55671995) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID55671995
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2csc(-c3ccccc3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3OS/c1-25(2)13-8-9-15(14(10-13)19(20,21)22)23-17(26)16-11-27-18(24-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,23,26)
InChIKeyPEFQLZXGHDKVRZ-UHFFFAOYSA-N
XLogP5.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65199742
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
2-(3-chlorophenyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-4-carboxamide
CID 134059905
2-[3-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142278
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-(5,6-difluoro-1H-indol-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 162444829
3-(benzenesulfonylmethyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]benzamide
CID 55777894
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 122243988
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 43068367
3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 55864931

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 55671995) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide is CN(C)c1ccc(NC(=O)c2csc(-c3ccccc3)n2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is PEFQLZXGHDKVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-25(2)13-8-9-15(14(10-13)19(20,21)22)23-17(26)16-11-27-18(24-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,23,26).
What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55671995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).