N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide

C15H9Cl2FN2OS — CID 40885128

IUPACN-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
SMILESCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C15H9Cl2FN2OS/c1-20-13-11(17)6-9(16)7-12(13)22-15(20)19-14(21)8-2-4-10(18)5-3-8/h2-7H,1H3/b19-15-
InChIKeyZYIXWRFPNRVUSD-CYVLTUHYSA-N
MW355.22 g/mol
LogP4.43
Rot. Bonds1

About N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide

N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide (PubChem CID 40885128) has the molecular formula C15H9Cl2FN2OS and a molecular weight of 355.22 g/mol. Its IUPAC name is N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
PubChem CID40885128
Molecular FormulaC15H9Cl2FN2OS
Molecular Weight355.22 g/mol
Exact Mass353.98
IUPAC NameN-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
SMILESCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C15H9Cl2FN2OS/c1-20-13-11(17)6-9(16)7-12(13)22-15(20)19-14(21)8-2-4-10(18)5-3-8/h2-7H,1H3/b19-15-
InChIKeyZYIXWRFPNRVUSD-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

2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885103
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3506442
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
CID 2159279
2,5-dichloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 4517411
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885526
4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4609685
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 2150940
4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3345967
3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4641541
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151023
N-(4,6-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 40885698
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5175515

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The IUPAC name of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide (CID 40885128) is N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide.
What is the SMILES notation for N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The canonical SMILES for N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is Cn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(Cl)cc(Cl)c21.
What is the InChIKey of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The InChIKey is ZYIXWRFPNRVUSD-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2OS/c1-20-13-11(17)6-9(16)7-12(13)22-15(20)19-14(21)8-2-4-10(18)5-3-8/h2-7H,1H3/b19-15-.
What are the key properties of N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide 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 N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is sourced from PubChem (CID 40885128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).