(2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C21H20N4O3S2 — CID 25439611

IUPAC(2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@H]1Sc2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2NC1=O
InChIInChI=1S/C21H20N4O3S2/c1-12-19(26)23-16-10-13(2-5-17(16)29-12)20(27)22-14-3-4-15-18(11-14)30-21(24-15)25-6-8-28-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,22,27)(H,23,26)/t12-/m1/s1
InChIKeyAIJBBEJGFGTUCW-GFCCVEGCSA-N
MW440.55 g/mol
LogP3.82
Rot. Bonds3

About (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

(2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 25439611) has the molecular formula C21H20N4O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID25439611
Molecular FormulaC21H20N4O3S2
Molecular Weight440.55 g/mol
Exact Mass440.10
IUPAC Name(2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@H]1Sc2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2NC1=O
InChIInChI=1S/C21H20N4O3S2/c1-12-19(26)23-16-10-13(2-5-17(16)29-12)20(27)22-14-3-4-15-18(11-14)30-21(24-15)25-6-8-28-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,22,27)(H,23,26)/t12-/m1/s1
InChIKeyAIJBBEJGFGTUCW-GFCCVEGCSA-N
XLogP3.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 112794484
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 35445200
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 9166050
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 1278511

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 25439611) is (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is C[C@H]1Sc2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2NC1=O.
What is the InChIKey of (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is AIJBBEJGFGTUCW-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20N4O3S2/c1-12-19(26)23-16-10-13(2-5-17(16)29-12)20(27)22-14-3-4-15-18(11-14)30-21(24-15)25-6-8-28-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,22,27)(H,23,26)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
(2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 25439611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).