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

C14H11N5OS3 — CID 90601810

IUPAC1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide
SMILESCSc1nc2ccc3nc(NC(=O)c4nccn4C)sc3c2s1
InChIInChI=1S/C14H11N5OS3/c1-19-6-5-15-11(19)12(20)18-13-16-7-3-4-8-10(9(7)22-13)23-14(17-8)21-2/h3-6H,1-2H3,(H,16,18,20)
InChIKeyQDIKJTPNJDKZBP-UHFFFAOYSA-N
MW361.48 g/mol
LogP3.61
Rot. Bonds3

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

1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide (PubChem CID 90601810) has the molecular formula C14H11N5OS3 and a molecular weight of 361.48 g/mol. Its IUPAC name is 1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide
PubChem CID90601810
Molecular FormulaC14H11N5OS3
Molecular Weight361.48 g/mol
Exact Mass361.01
IUPAC Name1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide
SMILESCSc1nc2ccc3nc(NC(=O)c4nccn4C)sc3c2s1
InChIInChI=1S/C14H11N5OS3/c1-19-6-5-15-11(19)12(20)18-13-16-7-3-4-8-10(9(7)22-13)23-14(17-8)21-2/h3-6H,1-2H3,(H,16,18,20)
InChIKeyQDIKJTPNJDKZBP-UHFFFAOYSA-N
XLogP3.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide
CID 90606278
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43952268
3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide
CID 45497408
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
5-chloro-2-methoxy-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90601782
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2-phenylacetamide
CID 5085616
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989277
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1-benzofuran-2-carboxamide
CID 8718116
4,5-dimethoxy-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2-nitrobenzamide
CID 90601795

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide (CID 90601810) is 1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide is CSc1nc2ccc3nc(NC(=O)c4nccn4C)sc3c2s1.
What is the InChIKey of 1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide?
The InChIKey is QDIKJTPNJDKZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS3/c1-19-6-5-15-11(19)12(20)18-13-16-7-3-4-8-10(9(7)22-13)23-14(17-8)21-2/h3-6H,1-2H3,(H,16,18,20).
What are the key properties of 1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide?
1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide has a molecular weight of 361.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide is sourced from PubChem (CID 90601810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).