2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide

C18H14Cl2F2N2O3S — CID 3417386

IUPAC2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
SMILESCOCCn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2cc(F)cc(F)c21
InChIInChI=1S/C18H14Cl2F2N2O3S/c1-26-5-4-24-17-13(22)7-11(21)8-15(17)28-18(24)23-16(25)9-27-14-3-2-10(19)6-12(14)20/h2-3,6-8H,4-5,9H2,1H3/b23-18-
InChIKeyMQZWSHSRPGDMKF-NKFKGCMQSA-N
MW447.29 g/mol
LogP4.44
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide

2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (PubChem CID 3417386) has the molecular formula C18H14Cl2F2N2O3S and a molecular weight of 447.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
PubChem CID3417386
Molecular FormulaC18H14Cl2F2N2O3S
Molecular Weight447.29 g/mol
Exact Mass446.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
SMILESCOCCn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2cc(F)cc(F)c21
InChIInChI=1S/C18H14Cl2F2N2O3S/c1-26-5-4-24-17-13(22)7-11(21)8-15(17)28-18(24)23-16(25)9-27-14-3-2-10(19)6-12(14)20/h2-3,6-8H,4-5,9H2,1H3/b23-18-
InChIKeyMQZWSHSRPGDMKF-NKFKGCMQSA-N
XLogP4.44
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3330674
2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 4121652
2-(2,4-dichlorophenoxy)-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)acetamide
CID 40885607
2-(2,4-dichlorophenoxy)-N-[3-(2-ethoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 41202941
2-(2,4-dichlorophenoxy)-N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 41202935
N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
CID 3286505
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenoxy)acetamide
CID 43937829
2-(4-chlorophenyl)-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]acetamide
CID 16912309
2-(2,4-dichlorophenoxy)-N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 3437777
N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenyl)acetamide
CID 16912465
N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanylbutanamide
CID 25406071
2-(2,4-dichlorophenoxy)-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 41092431

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (CID 3417386) is 2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is COCCn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2cc(F)cc(F)c21.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The InChIKey is MQZWSHSRPGDMKF-NKFKGCMQSA-N. The full InChI is InChI=1S/C18H14Cl2F2N2O3S/c1-26-5-4-24-17-13(22)7-11(21)8-15(17)28-18(24)23-16(25)9-27-14-3-2-10(19)6-12(14)20/h2-3,6-8H,4-5,9H2,1H3/b23-18-.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide has a molecular weight of 447.29 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 3417386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).