4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide

C16H10FN3OS2 — CID 3426312

IUPAC4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4ccc(F)cc4)sc32)s1
InChIInChI=1S/C16H10FN3OS2/c1-8-18-13-12(22-8)7-6-11-14(13)23-16(19-11)20-15(21)9-2-4-10(17)5-3-9/h2-7H,1H3,(H,19,20,21)
InChIKeyOVBFQLDUVGQQAG-UHFFFAOYSA-N
MW343.41 g/mol
LogP4.61
Rot. Bonds2

About 4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide

4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide (PubChem CID 3426312) has the molecular formula C16H10FN3OS2 and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
PubChem CID3426312
Molecular FormulaC16H10FN3OS2
Molecular Weight343.41 g/mol
Exact Mass343.02
IUPAC Name4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
SMILESCc1nc2c(ccc3nc(NC(=O)c4ccc(F)cc4)sc32)s1
InChIInChI=1S/C16H10FN3OS2/c1-8-18-13-12(22-8)7-6-11-14(13)23-16(19-11)20-15(21)9-2-4-10(17)5-3-9/h2-7H,1H3,(H,19,20,21)
InChIKeyOVBFQLDUVGQQAG-UHFFFAOYSA-N
XLogP4.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
CID 121082936
4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 43947317
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 4110990
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
CID 121080529
1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
CID 71549283
2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide
CID 8719702
1-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 121080536
N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283409
(3aR,7aS)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-5-nitro-3a,7a-dihydro-1-benzothiophene-2-carboxamide
CID 41056952
(3aR,7aR)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-5-nitro-3a,7a-dihydro-1-benzothiophene-2-carboxamide
CID 41056954
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide (CID 3426312) is 4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide is Cc1nc2c(ccc3nc(NC(=O)c4ccc(F)cc4)sc32)s1.
What is the InChIKey of 4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is OVBFQLDUVGQQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3OS2/c1-8-18-13-12(22-8)7-6-11-14(13)23-16(19-11)20-15(21)9-2-4-10(17)5-3-9/h2-7H,1H3,(H,19,20,21).
What are the key properties of 4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 343.41 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3426312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).