2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C15H10F2N2OS — CID 2151133

IUPAC2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2ccccc2F)sc2cccc(F)c21
InChIInChI=1S/C15H10F2N2OS/c1-19-13-11(17)7-4-8-12(13)21-15(19)18-14(20)9-5-2-3-6-10(9)16/h2-8H,1H3/b18-15-
InChIKeyQQVSVXQWTVLSMR-SDXDJHTJSA-N
MW304.32 g/mol
LogP3.26
Rot. Bonds1

About 2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2151133) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2151133
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2ccccc2F)sc2cccc(F)c21
InChIInChI=1S/C15H10F2N2OS/c1-19-13-11(17)7-4-8-12(13)21-15(19)18-14(20)9-5-2-3-6-10(9)16/h2-8H,1H3/b18-15-
InChIKeyQQVSVXQWTVLSMR-SDXDJHTJSA-N
XLogP3.26
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151031
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 2151131
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 5185543
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 40885648
methyl 2-[4-fluoro-2-(2-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4558143
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 2151051
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 2150973
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 2151078
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
CID 42387958
2-bromo-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4525701
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]naphthalene-1-carboxamide
CID 4085699
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
CID 2104662

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 2151133) is 2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is Cn1/c(=N/C(=O)c2ccccc2F)sc2cccc(F)c21.
What is the InChIKey of 2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is QQVSVXQWTVLSMR-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c1-19-13-11(17)7-4-8-12(13)21-15(19)18-14(20)9-5-2-3-6-10(9)16/h2-8H,1H3/b18-15-.
What are the key properties of 2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 304.32 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2151133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).