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

C15H16F3N3OS — CID 126800660

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cscn2)cc1
InChIInChI=1S/C15H16F3N3OS/c1-20(2)12-5-3-11(4-6-12)7-21(9-15(16,17)18)14(22)13-8-23-10-19-13/h3-6,8,10H,7,9H2,1-2H3
InChIKeyCTCQAXPQUKGQBM-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.41
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 126800660) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID126800660
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cscn2)cc1
InChIInChI=1S/C15H16F3N3OS/c1-20(2)12-5-3-11(4-6-12)7-21(9-15(16,17)18)14(22)13-8-23-10-19-13/h3-6,8,10H,7,9H2,1-2H3
InChIKeyCTCQAXPQUKGQBM-UHFFFAOYSA-N
XLogP3.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 56801300
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55144453
N-benzyl-N-(2-bromoethyl)-1,3-thiazole-4-carboxamide
CID 80662159
N-[[4-(dimethylamino)phenyl]methyl]-2-(tetrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56801304
N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 86889051
N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812
N-[(4-fluorophenyl)methyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 126809877
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716
N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 62044821
N-[(3-aminophenyl)methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 63022155
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,4-dioxane-2-carboxamide
CID 95318609

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 126800660) is N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cscn2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CTCQAXPQUKGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-20(2)12-5-3-11(4-6-12)7-21(9-15(16,17)18)14(22)13-8-23-10-19-13/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126800660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).