N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C19H10Cl2F6N2O2S — CID 11627682

IUPACN-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1sc(Oc2cc(C(F)(F)F)ccc2Cl)nc1C(F)(F)F
InChIInChI=1S/C19H10Cl2F6N2O2S/c20-11-4-1-9(2-5-11)8-28-16(30)14-15(19(25,26)27)29-17(32-14)31-13-7-10(18(22,23)24)3-6-12(13)21/h1-7H,8H2,(H,28,30)
InChIKeyRSEQFGGCOXXZPB-UHFFFAOYSA-N
MW515.26 g/mol
LogP7.21
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 11627682) has the molecular formula C19H10Cl2F6N2O2S and a molecular weight of 515.26 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID11627682
Molecular FormulaC19H10Cl2F6N2O2S
Molecular Weight515.26 g/mol
Exact Mass513.97
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1sc(Oc2cc(C(F)(F)F)ccc2Cl)nc1C(F)(F)F
InChIInChI=1S/C19H10Cl2F6N2O2S/c20-11-4-1-9(2-5-11)8-28-16(30)14-15(19(25,26)27)29-17(32-14)31-13-7-10(18(22,23)24)3-6-12(13)21/h1-7H,8H2,(H,28,30)
InChIKeyRSEQFGGCOXXZPB-UHFFFAOYSA-N
XLogP7.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.26
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797239
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654
4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane
CID 164564570
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7959642
2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24948936
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
2-[(4-chlorophenyl)methylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1286761
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
CID 2764664
6-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 50845703

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 11627682) is N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(NCc1ccc(Cl)cc1)c1sc(Oc2cc(C(F)(F)F)ccc2Cl)nc1C(F)(F)F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RSEQFGGCOXXZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F6N2O2S/c20-11-4-1-9(2-5-11)8-28-16(30)14-15(19(25,26)27)29-17(32-14)31-13-7-10(18(22,23)24)3-6-12(13)21/h1-7H,8H2,(H,28,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 515.26 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11627682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).