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

C15H10ClFN2OS — CID 2151031

IUPAC2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(F)c21
InChIInChI=1S/C15H10ClFN2OS/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-
InChIKeyXBKDLWQSNZMNNC-SDXDJHTJSA-N
MW320.78 g/mol
LogP3.77
Rot. Bonds1

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

2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2151031) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2151031
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC Name2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(F)c21
InChIInChI=1S/C15H10ClFN2OS/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-
InChIKeyXBKDLWQSNZMNNC-SDXDJHTJSA-N
XLogP3.77
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151133
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-chlorobenzamide
CID 42387958
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 2151131
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
CID 2104662
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885103
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 40885648
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 2151051
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 5185543
3-chloro-N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
CID 3324264
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 2151078
methyl 2-[4-fluoro-2-(2-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4558143

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 2151031) is 2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is Cn1/c(=N/C(=O)c2ccccc2Cl)sc2cccc(F)c21.
What is the InChIKey of 2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is XBKDLWQSNZMNNC-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/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-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 320.78 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2151031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).