4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide

C18H13F2N3O3S — CID 8565270

IUPAC4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C18H13F2N3O3S/c19-13-6-3-11(7-14(13)20)15-9-27-18(22-15)23-17(25)10-1-4-12(5-2-10)26-8-16(21)24/h1-7,9H,8H2,(H2,21,24)(H,22,23,25)
InChIKeyDZDDNXJKPHIKMT-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.20
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide

4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 8565270) has the molecular formula C18H13F2N3O3S and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID8565270
Molecular FormulaC18H13F2N3O3S
Molecular Weight389.38 g/mol
Exact Mass389.06
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C18H13F2N3O3S/c19-13-6-3-11(7-14(13)20)15-9-27-18(22-15)23-17(25)10-1-4-12(5-2-10)26-8-16(21)24/h1-7,9H,8H2,(H2,21,24)(H,22,23,25)
InChIKeyDZDDNXJKPHIKMT-UHFFFAOYSA-N
XLogP3.20
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 17433671
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2491296
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
CID 16820846
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 28861611
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 16561580

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 8565270) is 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide is NC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DZDDNXJKPHIKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O3S/c19-13-6-3-11(7-14(13)20)15-9-27-18(22-15)23-17(25)10-1-4-12(5-2-10)26-8-16(21)24/h1-7,9H,8H2,(H2,21,24)(H,22,23,25).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 389.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 8565270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).