N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide

C19H16F3N3OS — CID 145488956

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C19H16F3N3OS/c1-12-11-27-18(24-12)25-17(26)14-8-6-13(7-9-14)10-23-16-5-3-2-4-15(16)19(20,21)22/h2-9,11,23H,10H2,1H3,(H,24,25,26)
InChIKeyICWVDOKYVQZMSY-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.33
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide

N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide (PubChem CID 145488956) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
PubChem CID145488956
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C19H16F3N3OS/c1-12-11-27-18(24-12)25-17(26)14-8-6-13(7-9-14)10-23-16-5-3-2-4-15(16)19(20,21)22/h2-9,11,23H,10H2,1H3,(H,24,25,26)
InChIKeyICWVDOKYVQZMSY-UHFFFAOYSA-N
XLogP5.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-(4-methylthiazol-2-yl)benzamide
CID 695178
(2-Fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 1450294
Quinolone-based HDAC inhibitor 4i
CID 131953865
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658
3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2571939
N-(4-methyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2574102
2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2440919
N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 2557471
2-(2,6-dimethylanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10408130
N-[3-[2-[3-(trifluoromethyl)anilino]-4-thiazolyl]phenyl]benzamide
CID 16745788
2-[2-[[5-[[2-(Trifluoromethyl)anilino]methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 24970324

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide (CID 145488956) is N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide is Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
The InChIKey is ICWVDOKYVQZMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-12-11-27-18(24-12)25-17(26)14-8-6-13(7-9-14)10-23-16-5-3-2-4-15(16)19(20,21)22/h2-9,11,23H,10H2,1H3,(H,24,25,26).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide has a molecular weight of 391.42 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide is sourced from PubChem (CID 145488956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).