N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide

C21H15N5O3S3 — CID 55341227

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILESO=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C21H15N5O3S3/c27-19(12-5-6-17-18(9-12)31-21-25-32(28,29)8-7-26(17)21)24-20-23-16(11-30-20)14-10-22-15-4-2-1-3-13(14)15/h1-6,9-11,22H,7-8H2,(H,23,24,27)
InChIKeyGHVLZLIIGQNBFD-UHFFFAOYSA-N
MW481.58 g/mol
LogP4.16
Rot. Bonds3

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide (PubChem CID 55341227) has the molecular formula C21H15N5O3S3 and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
PubChem CID55341227
Molecular FormulaC21H15N5O3S3
Molecular Weight481.58 g/mol
Exact Mass481.03
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILESO=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
InChIInChI=1S/C21H15N5O3S3/c27-19(12-5-6-17-18(9-12)31-21-25-32(28,29)8-7-26(17)21)24-20-23-16(11-30-20)14-10-22-15-4-2-1-3-13(14)15/h1-6,9-11,22H,7-8H2,(H,23,24,27)
InChIKeyGHVLZLIIGQNBFD-UHFFFAOYSA-N
XLogP4.16
TPSA107.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide with MolForge

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Related Compounds

2,2-dioxo-N-phenyl-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 8713711
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55341188
2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55329314
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 55413859
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide
CID 26208885
N-[2-(4-methylphenoxy)phenyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55342966
3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 167861370
2,2-dioxo-N'-(pyridine-3-carbonyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbohydrazide
CID 55343151
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 2541524
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55786929

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide (CID 55341227) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide is O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
The InChIKey is GHVLZLIIGQNBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3S3/c27-19(12-5-6-17-18(9-12)31-21-25-32(28,29)8-7-26(17)21)24-20-23-16(11-30-20)14-10-22-15-4-2-1-3-13(14)15/h1-6,9-11,22H,7-8H2,(H,23,24,27).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide is sourced from PubChem (CID 55341227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).