N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C37H28F6N8O5S2 — CID 159350272

IUPACN-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(N)=O)c(NC(=O)c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)c1.Cc1ccc(C(N)=O)c(NC(=O)c2csc(-c3cnccc3C(F)(F)F)n2)c1
InChIInChI=1S/C19H15F3N4O3S.C18H13F3N4O2S/c1-10-2-4-12(16(23)27)13(6-10)25-17(28)14-8-30-18(26-14)11-3-5-15(24-7-11)29-9-19(20,21)22;1-9-2-3-10(15(22)26)13(6-9)24-16(27)14-8-28-17(25-14)11-7-23-5-4-12(11)18(19,20)21/h2-8H,9H2,1H3,(H2,23,27)(H,25,28);2-8H,1H3,(H2,22,26)(H,24,27)
InChIKeyLHFSPLBOKGZOAA-UHFFFAOYSA-N
MW842.80 g/mol
LogP7.69
Rot. Bonds10

About N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 159350272) has the molecular formula C37H28F6N8O5S2 and a molecular weight of 842.80 g/mol. Its IUPAC name is N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID159350272
Molecular FormulaC37H28F6N8O5S2
Molecular Weight842.80 g/mol
Exact Mass842.15
IUPAC NameN-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(N)=O)c(NC(=O)c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)c1.Cc1ccc(C(N)=O)c(NC(=O)c2csc(-c3cnccc3C(F)(F)F)n2)c1
InChIInChI=1S/C19H15F3N4O3S.C18H13F3N4O2S/c1-10-2-4-12(16(23)27)13(6-10)25-17(28)14-8-30-18(26-14)11-3-5-15(24-7-11)29-9-19(20,21)22;1-9-2-3-10(15(22)26)13(6-9)24-16(27)14-8-28-17(25-14)11-7-23-5-4-12(11)18(19,20)21/h2-8H,9H2,1H3,(H2,23,27)(H,25,28);2-8H,1H3,(H2,22,26)(H,24,27)
InChIKeyLHFSPLBOKGZOAA-UHFFFAOYSA-N
XLogP7.69
TPSA205.17 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500842.80
LogP ≤ 57.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

[4-[[4-(2,2,2-Trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[6-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-pyridinyl]methanone
CID 168271637
US9617282, Example 127
CID 86299074
N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-1,3-thiazole-4-carboxamide
CID 42639277
N-[2-(1-aminoethenyl)-5-methylphenyl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;methane
CID 143815913
N-[4-amino-5-[(3-amino-3-oxopropyl)iminomethyl]-2-(furan-3-yl)phenyl]-2-(6-fluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 176659508
N-[4-amino-5-[(4-amino-4-oxobutyl)iminomethyl]-2-(furan-3-yl)phenyl]-2-(6-fluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 176659517
1-(2-Acetamidoethyl)-2-methyl-5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 3863124
[4-[(2-Phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 24608945
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46696402
N-[2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55985723
6-ethoxy-N-(2-(2-(2-fluorophenyl)thiazol-4-yl)phenyl)nicotinamide
CID 90626413
N-[2-(1-aminoethenyl)-5-methylphenyl]-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 143815914

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 159350272) is N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is Cc1ccc(C(N)=O)c(NC(=O)c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)c1.Cc1ccc(C(N)=O)c(NC(=O)c2csc(-c3cnccc3C(F)(F)F)n2)c1.
What is the InChIKey of N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LHFSPLBOKGZOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S.C18H13F3N4O2S/c1-10-2-4-12(16(23)27)13(6-10)25-17(28)14-8-30-18(26-14)11-3-5-15(24-7-11)29-9-19(20,21)22;1-9-2-3-10(15(22)26)13(6-9)24-16(27)14-8-28-17(25-14)11-7-23-5-4-12(11)18(19,20)21/h2-8H,9H2,1H3,(H2,23,27)(H,25,28);2-8H,1H3,(H2,22,26)(H,24,27).
What are the key properties of N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 842.80 g/mol, XLogP of 7.69, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159350272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).