2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C22H21F3N2O3S — CID 46165052

IUPAC2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N2O3S/c1-13(2)26-20(28)17-12-31-21(27-17)15-7-8-18(19(10-15)29-3)30-11-14-5-4-6-16(9-14)22(23,24)25/h4-10,12-13H,11H2,1-3H3,(H,26,28)
InChIKeyLINQVIGRIXNZGE-UHFFFAOYSA-N
MW450.48 g/mol
LogP5.55
Rot. Bonds7

About 2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46165052) has the molecular formula C22H21F3N2O3S and a molecular weight of 450.48 g/mol. Its IUPAC name is 2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID46165052
Molecular FormulaC22H21F3N2O3S
Molecular Weight450.48 g/mol
Exact Mass450.12
IUPAC Name2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N2O3S/c1-13(2)26-20(28)17-12-31-21(27-17)15-7-8-18(19(10-15)29-3)30-11-14-5-4-6-16(9-14)22(23,24)25/h4-10,12-13H,11H2,1-3H3,(H,26,28)
InChIKeyLINQVIGRIXNZGE-UHFFFAOYSA-N
XLogP5.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46165058
2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46066060
N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066056
2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42865930
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]butanedioic acid
CID 155964490
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066268
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 42865957

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 46165052) is 2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is COc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LINQVIGRIXNZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3S/c1-13(2)26-20(28)17-12-31-21(27-17)15-7-8-18(19(10-15)29-3)30-11-14-5-4-6-16(9-14)22(23,24)25/h4-10,12-13H,11H2,1-3H3,(H,26,28).
What are the key properties of 2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46165052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).