methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate

C20H16F3N3O3S — CID 145489247

IUPACmethyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1
InChIInChI=1S/C20H16F3N3O3S/c1-29-18(28)16-11-25-19(30-16)26-17(27)13-8-6-12(7-9-13)10-24-15-5-3-2-4-14(15)20(21,22)23/h2-9,11,24H,10H2,1H3,(H,25,26,27)
InChIKeySDHRKYWMGBPBIO-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.81
Rot. Bonds6

About methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 145489247) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID145489247
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Namemethyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1
InChIInChI=1S/C20H16F3N3O3S/c1-29-18(28)16-11-25-19(30-16)26-17(27)13-8-6-12(7-9-13)10-24-15-5-3-2-4-14(15)20(21,22)23/h2-9,11,24H,10H2,1H3,(H,25,26,27)
InChIKeySDHRKYWMGBPBIO-UHFFFAOYSA-N
XLogP4.81
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hydroxymethyl)-2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 145488977
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
3-[2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazol-4-yl]propanoic acid
CID 25122095
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109155532
methyl 2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103750
2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80570658
methyl 2-[(4-pyridin-3-ylphenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 86665086
2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571494

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate (CID 145489247) is methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1.
What is the InChIKey of methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is SDHRKYWMGBPBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c1-29-18(28)16-11-25-19(30-16)26-17(27)13-8-6-12(7-9-13)10-24-15-5-3-2-4-14(15)20(21,22)23/h2-9,11,24H,10H2,1H3,(H,25,26,27).
What are the key properties of methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 435.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 145489247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).