2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C23H26N2O3S — CID 35270851

IUPAC2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)c1
InChIInChI=1S/C23H26N2O3S/c1-15-21(22(26)25-17-7-6-8-19(13-17)27-5)29-20(24-15)14-28-18-11-9-16(10-12-18)23(2,3)4/h6-13H,14H2,1-5H3,(H,25,26)
InChIKeyWFGNQVDMLKZOPV-UHFFFAOYSA-N
MW410.54 g/mol
LogP5.59
Rot. Bonds6

About 2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 35270851) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID35270851
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)c1
InChIInChI=1S/C23H26N2O3S/c1-15-21(22(26)25-17-7-6-8-19(13-17)27-5)29-20(24-15)14-28-18-11-9-16(10-12-18)23(2,3)4/h6-13H,14H2,1-5H3,(H,25,26)
InChIKeyWFGNQVDMLKZOPV-UHFFFAOYSA-N
XLogP5.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
2-[(4-tert-butylphenoxy)methyl]-N-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35271114
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 16616389
4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46741096
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741122
N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
methyl 3-[[4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
CID 110342034
N-(2,5-dimethoxyphenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741085
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 35270851) is 2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1cccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)c1.
What is the InChIKey of 2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WFGNQVDMLKZOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-15-21(22(26)25-17-7-6-8-19(13-17)27-5)29-20(24-15)14-28-18-11-9-16(10-12-18)23(2,3)4/h6-13H,14H2,1-5H3,(H,25,26).
What are the key properties of 2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenoxy)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 35270851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).