N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C20H14N4O2S2 — CID 55341188

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cc2N1
InChIInChI=1S/C20H14N4O2S2/c25-18-10-27-17-6-5-11(7-15(17)22-18)19(26)24-20-23-16(9-28-20)13-8-21-14-4-2-1-3-12(13)14/h1-9,21H,10H2,(H,22,25)(H,23,24,26)
InChIKeyCFLOQFQCQAHIJZ-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.59
Rot. Bonds3

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 55341188) has the molecular formula C20H14N4O2S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID55341188
Molecular FormulaC20H14N4O2S2
Molecular Weight406.49 g/mol
Exact Mass406.06
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cc2N1
InChIInChI=1S/C20H14N4O2S2/c25-18-10-27-17-6-5-11(7-15(17)22-18)19(26)24-20-23-16(9-28-20)13-8-21-14-4-2-1-3-12(13)14/h1-9,21H,10H2,(H,22,25)(H,23,24,26)
InChIKeyCFLOQFQCQAHIJZ-UHFFFAOYSA-N
XLogP4.59
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55341227
3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 167861370
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide
CID 26208885
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 35565242
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
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 24562986
(2R)-2-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 31510372
3-oxo-N-pyridin-3-yl-4H-1,4-benzothiazine-6-carboxamide
CID 26592395

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 55341188) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cc2N1.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is CFLOQFQCQAHIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S2/c25-18-10-27-17-6-5-11(7-15(17)22-18)19(26)24-20-23-16(9-28-20)13-8-21-14-4-2-1-3-12(13)14/h1-9,21H,10H2,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 4.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 55341188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).