4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide

C17H11F2N3OS — CID 2151067

IUPAC4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(F)cc(F)c21
InChIInChI=1S/C17H11F2N3OS/c1-2-22-15-13(19)7-12(18)8-14(15)24-17(22)21-16(23)11-5-3-10(9-20)4-6-11/h3-8H,2H2,1H3/b21-17-
InChIKeyBMPSDOBQFCKRTN-FXBPSFAMSA-N
MW343.36 g/mol
LogP3.61
Rot. Bonds2

About 4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide

4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2151067) has the molecular formula C17H11F2N3OS and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2151067
Molecular FormulaC17H11F2N3OS
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(F)cc(F)c21
InChIInChI=1S/C17H11F2N3OS/c1-2-22-15-13(19)7-12(18)8-14(15)24-17(22)21-16(23)11-5-3-10(9-20)4-6-11/h3-8H,2H2,1H3/b21-17-
InChIKeyBMPSDOBQFCKRTN-FXBPSFAMSA-N
XLogP3.61
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 4100552
4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 5112689
4-cyano-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697470
4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40691093
N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
CID 4189274
N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4119245
N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 2151038
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 42126702
N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
CID 4147800
4-cyano-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4252332
methyl 4-[[3-(2-ethoxy-2-oxoethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate
CID 4142753
methyl 2-[4,6-difluoro-2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4142713

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide (CID 2151067) is 4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide is CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(F)cc(F)c21.
What is the InChIKey of 4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is BMPSDOBQFCKRTN-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H11F2N3OS/c1-2-22-15-13(19)7-12(18)8-14(15)24-17(22)21-16(23)11-5-3-10(9-20)4-6-11/h3-8H,2H2,1H3/b21-17-.
What are the key properties of 4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide?
4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 343.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2151067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).