3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C15H9Cl2FN2OS — CID 4641541

IUPAC3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2cc(Cl)cc(Cl)c2)sc2cc(F)ccc21
InChIInChI=1S/C15H9Cl2FN2OS/c1-20-12-3-2-11(18)7-13(12)22-15(20)19-14(21)8-4-9(16)6-10(17)5-8/h2-7H,1H3/b19-15-
InChIKeyLXGZTPFFWXZXNO-CYVLTUHYSA-N
MW355.22 g/mol
LogP4.43
Rot. Bonds1

About 3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 4641541) has the molecular formula C15H9Cl2FN2OS and a molecular weight of 355.22 g/mol. Its IUPAC name is 3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID4641541
Molecular FormulaC15H9Cl2FN2OS
Molecular Weight355.22 g/mol
Exact Mass353.98
IUPAC Name3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2cc(Cl)cc(Cl)c2)sc2cc(F)ccc21
InChIInChI=1S/C15H9Cl2FN2OS/c1-20-12-3-2-11(18)7-13(12)22-15(20)19-14(21)8-4-9(16)6-10(17)5-8/h2-7H,1H3/b19-15-
InChIKeyLXGZTPFFWXZXNO-CYVLTUHYSA-N
XLogP4.43
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 4564147
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 4183334
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 4666362
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4568153
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5175515
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 40885128
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide
CID 4320569
2-(5-chlorothiophen-2-yl)-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41340506
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41057091
3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4670224
3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980164
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide
CID 4071066

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 4641541) is 3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is Cn1/c(=N/C(=O)c2cc(Cl)cc(Cl)c2)sc2cc(F)ccc21.
What is the InChIKey of 3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is LXGZTPFFWXZXNO-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2OS/c1-20-12-3-2-11(18)7-13(12)22-15(20)19-14(21)8-4-9(16)6-10(17)5-8/h2-7H,1H3/b19-15-.
What are the key properties of 3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 355.22 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4641541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).