N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide

C17H14F2N2O3S — CID 9119417

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)ccc1OC
InChIInChI=1S/C17H14F2N2O3S/c1-3-24-13-6-9(4-5-12(13)23-2)16(22)21-17-20-15-11(19)7-10(18)8-14(15)25-17/h4-8H,3H2,1-2H3,(H,20,21,22)
InChIKeyWSYYVPRZWFVTPH-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.23
Rot. Bonds5

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide (PubChem CID 9119417) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
PubChem CID9119417
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)ccc1OC
InChIInChI=1S/C17H14F2N2O3S/c1-3-24-13-6-9(4-5-12(13)23-2)16(22)21-17-20-15-11(19)7-10(18)8-14(15)25-17/h4-8H,3H2,1-2H3,(H,20,21,22)
InChIKeyWSYYVPRZWFVTPH-UHFFFAOYSA-N
XLogP4.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848813
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 2150798
3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 55384796
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 7267144
3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
CID 43989050
2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide
CID 173125975
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 7105713
3-ethoxy-4-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24570098

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide (CID 9119417) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)ccc1OC.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide?
The InChIKey is WSYYVPRZWFVTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-3-24-13-6-9(4-5-12(13)23-2)16(22)21-17-20-15-11(19)7-10(18)8-14(15)25-17/h4-8H,3H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide has a molecular weight of 364.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 9119417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).