N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide

C20H15FN4O2S — CID 60592826

IUPACN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cncn3-c3ccccc3)n2)cc1F
InChIInChI=1S/C20H15FN4O2S/c1-27-18-8-7-13(9-15(18)21)16-11-28-20(23-16)24-19(26)17-10-22-12-25(17)14-5-3-2-4-6-14/h2-12H,1H3,(H,23,24,26)
InChIKeyVUMAAPJBEOGWIY-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.40
Rot. Bonds5

About N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide

N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide (PubChem CID 60592826) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
PubChem CID60592826
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cncn3-c3ccccc3)n2)cc1F
InChIInChI=1S/C20H15FN4O2S/c1-27-18-8-7-13(9-15(18)21)16-11-28-20(23-16)24-19(26)17-10-22-12-25(17)14-5-3-2-4-6-14/h2-12H,1H3,(H,23,24,26)
InChIKeyVUMAAPJBEOGWIY-UHFFFAOYSA-N
XLogP4.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 176859684
N-[4-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide
CID 176859832
3-(4-fluorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 18127545
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 16561580
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 7583048
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxypyridine-3-carboxamide
CID 134002964
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 27993274
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
2-(dimethylamino)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 55686455
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 7583100
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide (CID 60592826) is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide is COc1ccc(-c2csc(NC(=O)c3cncn3-c3ccccc3)n2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide?
The InChIKey is VUMAAPJBEOGWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-27-18-8-7-13(9-15(18)21)16-11-28-20(23-16)24-19(26)17-10-22-12-25(17)14-5-3-2-4-6-14/h2-12H,1H3,(H,23,24,26).
What are the key properties of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide?
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 60592826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).