2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

C66H67F9N10O7S3 — CID 91302736

IUPAC2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCCCCCOc1ccc(N(C(=O)COC)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(C)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(N)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C23H24F3N3O3S.C22H22F3N3O2S.C21H21F3N4O2S/c1-3-4-5-11-32-20-9-8-17(12-18(20)23(24,25)26)29(21(30)14-31-2)22-28-19(15-33-22)16-7-6-10-27-13-16;1-3-4-5-11-30-20-9-8-17(12-18(20)22(23,24)25)28(15(2)29)21-27-19(14-31-21)16-7-6-10-26-13-16;1-2-3-4-10-30-18-8-7-15(11-16(18)21(22,23)24)28(19(25)29)20-27-17(13-31-20)14-6-5-9-26-12-14/h6-10,12-13,15H,3-5,11,14H2,1-2H3;6-10,12-14H,3-5,11H2,1-2H3;5-9,11-13H,2-4,10H2,1H3,(H2,25,29)
InChIKeyZKPVMYGCNBYFEP-UHFFFAOYSA-N
MW1379.51 g/mol
LogP18.59
Rot. Bonds26

About 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea

2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (PubChem CID 91302736) has the molecular formula C66H67F9N10O7S3 and a molecular weight of 1379.51 g/mol. Its IUPAC name is 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
PubChem CID91302736
Molecular FormulaC66H67F9N10O7S3
Molecular Weight1379.51 g/mol
Exact Mass1378.42
IUPAC Name2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
SMILESCCCCCOc1ccc(N(C(=O)COC)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(C)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(N)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F
InChIInChI=1S/C23H24F3N3O3S.C22H22F3N3O2S.C21H21F3N4O2S/c1-3-4-5-11-32-20-9-8-17(12-18(20)23(24,25)26)29(21(30)14-31-2)22-28-19(15-33-22)16-7-6-10-27-13-16;1-3-4-5-11-30-20-9-8-17(12-18(20)22(23,24)25)28(15(2)29)21-27-19(14-31-21)16-7-6-10-26-13-16;1-2-3-4-10-30-18-8-7-15(11-16(18)21(22,23)24)28(19(25)29)20-27-17(13-31-20)14-6-5-9-26-12-14/h6-10,12-13,15H,3-5,11,14H2,1-2H3;6-10,12-14H,3-5,11H2,1-2H3;5-9,11-13H,2-4,10H2,1H3,(H2,25,29)
InChIKeyZKPVMYGCNBYFEP-UHFFFAOYSA-N
XLogP18.59
TPSA201.21 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.51
LogP ≤ 518.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

2-(dimethylamino)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-[4-(3-pyridyl)thiazol-2-yl]acetamide
CID 24895869
1-[4-Pentoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-pyridyl)thiazol-2-yl]urea
CID 24895921
2-hydroxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-[4-(3-pyridyl)thiazol-2-yl]acetamide
CID 24896021
1-[4-(2-Methyl-3-pyridyl)thiazol-2-yl]-1-[4-pentoxy-3-(trifluoromethyl)phenyl]urea
CID 24896071
3-Ethyl-1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-pyridyl)thiazol-2-yl]urea
CID 24896115
3-Tert-butyl-1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-[4-(3-pyridyl)thiazol-2-yl]urea
CID 24896116
1-[4-Pentoxy-3-(trifluoromethyl)phenyl]-3-phenyl-1-[4-(3-pyridyl)thiazol-2-yl]urea
CID 24896118
N-(5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[4-octoxy-3-(trifluoromethyl)phenyl]acetamide
CID 24896283
1-(5-Fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-1-[4-octoxy-3-(trifluoromethyl)phenyl]urea
CID 24896319
2-(dimethylamino)-N-(5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-N-[4-(4-thiophen-2-ylbutoxy)-3-(trifluoromethyl)phenyl]acetamide
CID 24896322
2-(dimethylamino)-N-[4-octoxy-3-(trifluoromethyl)phenyl]-N-[4-(3-pyridyl)thiazol-2-yl]acetamide
CID 24896323
[2-[N-(5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)-4-octoxy-3-(trifluoromethyl)anilino]-2-oxoethyl] acetate
CID 24896413

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea (CID 91302736) is 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is CCCCCOc1ccc(N(C(=O)COC)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(C)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.CCCCCOc1ccc(N(C(N)=O)c2nc(-c3cccnc3)cs2)cc1C(F)(F)F.
What is the InChIKey of 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
The InChIKey is ZKPVMYGCNBYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3S.C22H22F3N3O2S.C21H21F3N4O2S/c1-3-4-5-11-32-20-9-8-17(12-18(20)23(24,25)26)29(21(30)14-31-2)22-28-19(15-33-22)16-7-6-10-27-13-16;1-3-4-5-11-30-20-9-8-17(12-18(20)22(23,24)25)28(15(2)29)21-27-19(14-31-21)16-7-6-10-26-13-16;1-2-3-4-10-30-18-8-7-15(11-16(18)21(22,23)24)28(19(25)29)20-27-17(13-31-20)14-6-5-9-26-12-14/h6-10,12-13,15H,3-5,11,14H2,1-2H3;6-10,12-14H,3-5,11H2,1-2H3;5-9,11-13H,2-4,10H2,1H3,(H2,25,29).
What are the key properties of 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea?
2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea has a molecular weight of 1379.51 g/mol, XLogP of 18.59, 26 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;N-[4-pentoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 91302736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).