N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide

C14H13N5O3S3 — CID 71788260

IUPACN-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)c3ccc4nsnc4c3)sc2C1
InChIInChI=1S/C14H13N5O3S3/c1-25(21,22)19-5-4-10-12(7-19)23-14(15-10)16-13(20)8-2-3-9-11(6-8)18-24-17-9/h2-3,6H,4-5,7H2,1H3,(H,15,16,20)
InChIKeyLEFDBSUMPUDICE-UHFFFAOYSA-N
MW395.49 g/mol
LogP1.72
Rot. Bonds3

About N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide

N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 71788260) has the molecular formula C14H13N5O3S3 and a molecular weight of 395.49 g/mol. Its IUPAC name is N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID71788260
Molecular FormulaC14H13N5O3S3
Molecular Weight395.49 g/mol
Exact Mass395.02
IUPAC NameN-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)c3ccc4nsnc4c3)sc2C1
InChIInChI=1S/C14H13N5O3S3/c1-25(21,22)19-5-4-10-12(7-19)23-14(15-10)16-13(20)8-2-3-9-11(6-8)18-24-17-9/h2-3,6H,4-5,7H2,1H3,(H,15,16,20)
InChIKeyLEFDBSUMPUDICE-UHFFFAOYSA-N
XLogP1.72
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide (CID 71788260) is N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide is CS(=O)(=O)N1CCc2nc(NC(=O)c3ccc4nsnc4c3)sc2C1.
What is the InChIKey of N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is LEFDBSUMPUDICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S3/c1-25(21,22)19-5-4-10-12(7-19)23-14(15-10)16-13(20)8-2-3-9-11(6-8)18-24-17-9/h2-3,6H,4-5,7H2,1H3,(H,15,16,20).
What are the key properties of N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 71788260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).