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

C15H13N5O2S3 — CID 45497408

IUPAC3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1nc2ccc3nc(SC)sc3c2s1
InChIInChI=1S/C15H13N5O2S3/c1-20-6-7(13(19-20)22-2)12(21)18-14-16-8-4-5-9-11(10(8)24-14)25-15(17-9)23-3/h4-6H,1-3H3,(H,16,18,21)
InChIKeyDRJCJNRZCGPDHI-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.62
Rot. Bonds4

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

3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide (PubChem CID 45497408) has the molecular formula C15H13N5O2S3 and a molecular weight of 391.50 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide
PubChem CID45497408
Molecular FormulaC15H13N5O2S3
Molecular Weight391.50 g/mol
Exact Mass391.02
IUPAC Name3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1nc2ccc3nc(SC)sc3c2s1
InChIInChI=1S/C15H13N5O2S3/c1-20-6-7(13(19-20)22-2)12(21)18-14-16-8-4-5-9-11(10(8)24-14)25-15(17-9)23-3/h4-6H,1-3H3,(H,16,18,21)
InChIKeyDRJCJNRZCGPDHI-UHFFFAOYSA-N
XLogP3.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-chloro-2-methoxy-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90601782
2-fluoro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 5159938
4,5-dimethoxy-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2-nitrobenzamide
CID 90601795
1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide
CID 90601810
2,4-dichloro-N-[(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)carbamothioyl]benzamide
CID 90601822
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 43989583
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)-1H-imidazole-2-carboxamide
CID 90606278
4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 4651889
N-[(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)carbamothioyl]thiophene-2-carboxamide
CID 90601820
2-(2-methoxy-5-methylphenyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 16912108

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide (CID 45497408) is 3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1nc2ccc3nc(SC)sc3c2s1.
What is the InChIKey of 3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide?
The InChIKey is DRJCJNRZCGPDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S3/c1-20-6-7(13(19-20)22-2)12(21)18-14-16-8-4-5-9-11(10(8)24-14)25-15(17-9)23-3/h4-6H,1-3H3,(H,16,18,21).
What are the key properties of 3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 45497408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).