N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

C20H19FN2O3S — CID 51217667

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)Cc3ccc(OC)c(F)c3)cs2)cc1
InChIInChI=1S/C20H19FN2O3S/c1-23(11-13-4-9-18(26-3)16(21)10-13)20(24)17-12-27-19(22-17)14-5-7-15(25-2)8-6-14/h4-10,12H,11H2,1-3H3
InChIKeyAESZJCBIAODGCO-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.24
Rot. Bonds6

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

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 51217667) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID51217667
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)Cc3ccc(OC)c(F)c3)cs2)cc1
InChIInChI=1S/C20H19FN2O3S/c1-23(11-13-4-9-18(26-3)16(21)10-13)20(24)17-12-27-19(22-17)14-5-7-15(25-2)8-6-14/h4-10,12H,11H2,1-3H3
InChIKeyAESZJCBIAODGCO-UHFFFAOYSA-N
XLogP4.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27781154
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 46066284
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(4-methylphenyl)thiophene-2-carboxamide
CID 134052678
N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46165090
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
2-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 9488367
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735669
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 43072331

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 51217667) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)N(C)Cc3ccc(OC)c(F)c3)cs2)cc1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is AESZJCBIAODGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-23(11-13-4-9-18(26-3)16(21)10-13)20(24)17-12-27-19(22-17)14-5-7-15(25-2)8-6-14/h4-10,12H,11H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51217667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).