N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide

C16H11N3OS3 — CID 5013043

IUPACN-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
SMILESCSc1nc2ccc3nc(NC(=O)c4ccccc4)sc3c2s1
InChIInChI=1S/C16H11N3OS3/c1-21-16-18-11-8-7-10-12(13(11)23-16)22-15(17-10)19-14(20)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,19,20)
InChIKeyVZLGPCYXRFHJFJ-UHFFFAOYSA-N
MW357.49 g/mol
LogP4.88
Rot. Bonds3

About N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide

N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide (PubChem CID 5013043) has the molecular formula C16H11N3OS3 and a molecular weight of 357.49 g/mol. Its IUPAC name is N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
PubChem CID5013043
Molecular FormulaC16H11N3OS3
Molecular Weight357.49 g/mol
Exact Mass357.01
IUPAC NameN-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
SMILESCSc1nc2ccc3nc(NC(=O)c4ccccc4)sc3c2s1
InChIInChI=1S/C16H11N3OS3/c1-21-16-18-11-8-7-10-12(13(11)23-16)22-15(17-10)19-14(20)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,19,20)
InChIKeyVZLGPCYXRFHJFJ-UHFFFAOYSA-N
XLogP4.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The IUPAC name of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide (CID 5013043) is N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide.
What is the SMILES notation for N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The canonical SMILES for N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide is CSc1nc2ccc3nc(NC(=O)c4ccccc4)sc3c2s1.
What is the InChIKey of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The InChIKey is VZLGPCYXRFHJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS3/c1-21-16-18-11-8-7-10-12(13(11)23-16)22-15(17-10)19-14(20)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,19,20).
What are the key properties of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide has a molecular weight of 357.49 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide is sourced from PubChem (CID 5013043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).