N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide

C24H19FN2O3S — CID 46165537

IUPACN-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)Nc3ccccc3F)cs2)ccc1OCc1ccccc1
InChIInChI=1S/C24H19FN2O3S/c1-29-22-13-17(11-12-21(22)30-14-16-7-3-2-4-8-16)24-27-20(15-31-24)23(28)26-19-10-6-5-9-18(19)25/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyJOTPVDCYTZQJAB-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.79
Rot. Bonds7

About N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide

N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46165537) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46165537
Molecular FormulaC24H19FN2O3S
Molecular Weight434.49 g/mol
Exact Mass434.11
IUPAC NameN-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(-c2nc(C(=O)Nc3ccccc3F)cs2)ccc1OCc1ccccc1
InChIInChI=1S/C24H19FN2O3S/c1-29-22-13-17(11-12-21(22)30-14-16-7-3-2-4-8-16)24-27-20(15-31-24)23(28)26-19-10-6-5-9-18(19)25/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyJOTPVDCYTZQJAB-UHFFFAOYSA-N
XLogP5.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
N-benzyl-2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46164980
2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42865930
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066268
N-(2-fluorophenyl)-2-[3-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866958
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 46066288
2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 46066250
2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866927
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46165555
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 42865957
2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066254
2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46066060

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 46165537) is N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cc(-c2nc(C(=O)Nc3ccccc3F)cs2)ccc1OCc1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JOTPVDCYTZQJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c1-29-22-13-17(11-12-21(22)30-14-16-7-3-2-4-8-16)24-27-20(15-31-24)23(28)26-19-10-6-5-9-18(19)25/h2-13,15H,14H2,1H3,(H,26,28).
What are the key properties of N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46165537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).