N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide

C20H17F2N3O3S — CID 16825902

IUPACN-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1
InChIInChI=1S/C20H17F2N3O3S/c1-28-14-7-5-12(6-8-14)19(27)25-20-24-13(11-29-20)9-18(26)23-10-15-16(21)3-2-4-17(15)22/h2-8,11H,9-10H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyWIWTXYOIHSSXOY-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.54
Rot. Bonds7

About N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide

N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (PubChem CID 16825902) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
PubChem CID16825902
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC NameN-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1
InChIInChI=1S/C20H17F2N3O3S/c1-28-14-7-5-12(6-8-14)19(27)25-20-24-13(11-29-20)9-18(26)23-10-15-16(21)3-2-4-17(15)22/h2-8,11H,9-10H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyWIWTXYOIHSSXOY-UHFFFAOYSA-N
XLogP3.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505
2-({[(4-methoxybenzoyl)amino]carbothioyl}amino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 1000196
N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-oxononanediamide
CID 9822443
Thiophene-2-carboxylic acid (3-diethylamino-propyl)-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amide
CID 653546
4-methoxy-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 746912
N,N,4-trimethyl-2-({[(4-propoxybenzoyl)amino]carbothioyl}amino)-1,3-thiazole-5-carboxamide
CID 1767991
N-(4-(3,4-difluorophenyl)thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2109085
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2109092
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butan-2-yl]benzamide
CID 2478586
N-[(2S)-1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2486995

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (CID 16825902) is N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1.
What is the InChIKey of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The InChIKey is WIWTXYOIHSSXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c1-28-14-7-5-12(6-8-14)19(27)25-20-24-13(11-29-20)9-18(26)23-10-15-16(21)3-2-4-17(15)22/h2-8,11H,9-10H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide has a molecular weight of 417.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 16825902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).