4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide

C19H14F3N3O2S — CID 145489343

IUPAC4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
SMILESCc1csc(NC(=O)c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F3N3O2S/c1-11-10-28-18(23-11)25-17(27)13-8-6-12(7-9-13)16(26)24-15-5-3-2-4-14(15)19(20,21)22/h2-10H,1H3,(H,24,26)(H,23,25,27)
InChIKeyWUZXNPQBPNJNDH-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.97
Rot. Bonds4

About 4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide

4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide (PubChem CID 145489343) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is 4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
PubChem CID145489343
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC Name4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
SMILESCc1csc(NC(=O)c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F3N3O2S/c1-11-10-28-18(23-11)25-17(27)13-8-6-12(7-9-13)16(26)24-15-5-3-2-4-14(15)19(20,21)22/h2-10H,1H3,(H,24,26)(H,23,25,27)
InChIKeyWUZXNPQBPNJNDH-UHFFFAOYSA-N
XLogP4.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8936507
[4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
CID 44717648
3-[2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazol-4-yl]propanoic acid
CID 25122095
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110761812

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide (CID 145489343) is 4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide is Cc1csc(NC(=O)c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)n1.
What is the InChIKey of 4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is WUZXNPQBPNJNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c1-11-10-28-18(23-11)25-17(27)13-8-6-12(7-9-13)16(26)24-15-5-3-2-4-14(15)19(20,21)22/h2-10H,1H3,(H,24,26)(H,23,25,27).
What are the key properties of 4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 405.40 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 145489343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).