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

C17H10N4OS3 — CID 4651889

IUPAC4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
SMILESCSc1nc2ccc3nc(NC(=O)c4ccc(C#N)cc4)sc3c2s1
InChIInChI=1S/C17H10N4OS3/c1-23-17-20-12-7-6-11-13(14(12)25-17)24-16(19-11)21-15(22)10-4-2-9(8-18)3-5-10/h2-7H,1H3,(H,19,21,22)
InChIKeyJOQXHQTUSFKNFH-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.75
Rot. Bonds3

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

4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide (PubChem CID 4651889) has the molecular formula C17H10N4OS3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
PubChem CID4651889
Molecular FormulaC17H10N4OS3
Molecular Weight382.50 g/mol
Exact Mass382.00
IUPAC Name4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
SMILESCSc1nc2ccc3nc(NC(=O)c4ccc(C#N)cc4)sc3c2s1
InChIInChI=1S/C17H10N4OS3/c1-23-17-20-12-7-6-11-13(14(12)25-17)24-16(19-11)21-15(22)10-4-2-9(8-18)3-5-10/h2-7H,1H3,(H,19,21,22)
InChIKeyJOQXHQTUSFKNFH-UHFFFAOYSA-N
XLogP4.75
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 2150716
4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 5048791
4-chloro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-3-(trifluoromethyl)benzamide
CID 90606264
2-fluoro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 5159938
4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7202790
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide
CID 90606278
1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide
CID 90601810
N-(2-benzamido-1,3-benzothiazol-6-yl)-4-cyanobenzamide
CID 46290848
3-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1,2-oxazole-5-carboxamide
CID 16879825
2-[(4-cyanobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59729192
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide
CID 25259294
2-chloro-6-fluoro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90601780

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The IUPAC name of 4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide (CID 4651889) is 4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The canonical SMILES for 4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide is CSc1nc2ccc3nc(NC(=O)c4ccc(C#N)cc4)sc3c2s1.
What is the InChIKey of 4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The InChIKey is JOQXHQTUSFKNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4OS3/c1-23-17-20-12-7-6-11-13(14(12)25-17)24-16(19-11)21-15(22)10-4-2-9(8-18)3-5-10/h2-7H,1H3,(H,19,21,22).
What are the key properties of 4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide is sourced from PubChem (CID 4651889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).