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

C13H9N5OS3 — CID 90606278

IUPACN-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide
SMILESCSc1nc2ccc3nc(NC(=O)c4ncc[nH]4)sc3c2s1
InChIInChI=1S/C13H9N5OS3/c1-20-13-17-7-3-2-6-8(9(7)22-13)21-12(16-6)18-11(19)10-14-4-5-15-10/h2-5H,1H3,(H,14,15)(H,16,18,19)
InChIKeySCAYQSFHXAUTDQ-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.60
Rot. Bonds3

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

N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide (PubChem CID 90606278) has the molecular formula C13H9N5OS3 and a molecular weight of 347.45 g/mol. Its IUPAC name is N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide
PubChem CID90606278
Molecular FormulaC13H9N5OS3
Molecular Weight347.45 g/mol
Exact Mass347.00
IUPAC NameN-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide
SMILESCSc1nc2ccc3nc(NC(=O)c4ncc[nH]4)sc3c2s1
InChIInChI=1S/C13H9N5OS3/c1-20-13-17-7-3-2-6-8(9(7)22-13)21-12(16-6)18-11(19)10-14-4-5-15-10/h2-5H,1H3,(H,14,15)(H,16,18,19)
InChIKeySCAYQSFHXAUTDQ-UHFFFAOYSA-N
XLogP3.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide
CID 90601810
2-fluoro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 5159938
4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 4651889
3-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1,2-oxazole-5-carboxamide
CID 16879825
2-chloro-6-fluoro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90601780
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2-phenylacetamide
CID 5085616
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1-benzofuran-2-carboxamide
CID 8718116
3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide
CID 45497408
5-chloro-2-methoxy-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90601782
4-chloro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-3-(trifluoromethyl)benzamide
CID 90606264
4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 5048791
2-(4-ethoxyphenyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 8719724

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide (CID 90606278) is N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide is CSc1nc2ccc3nc(NC(=O)c4ncc[nH]4)sc3c2s1.
What is the InChIKey of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide?
The InChIKey is SCAYQSFHXAUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS3/c1-20-13-17-7-3-2-6-8(9(7)22-13)21-12(16-6)18-11(19)10-14-4-5-15-10/h2-5H,1H3,(H,14,15)(H,16,18,19).
What are the key properties of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide?
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide has a molecular weight of 347.45 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 90606278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).