2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide

C19H19ClN4O3S — CID 25498200

IUPAC2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
SMILESO=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C19H19ClN4O3S/c20-12-1-3-15-14(9-12)22-19(26)16(28-15)10-18(25)23-17-4-2-13(11-21-17)24-5-7-27-8-6-24/h1-4,9,11,16H,5-8,10H2,(H,22,26)(H,21,23,25)/t16-/m0/s1
InChIKeyGPBRLGSAWHWXQG-INIZCTEOSA-N
MW418.91 g/mol
LogP3.01
Rot. Bonds4

About 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide

2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide (PubChem CID 25498200) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
PubChem CID25498200
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
SMILESO=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C19H19ClN4O3S/c20-12-1-3-15-14(9-12)22-19(26)16(28-15)10-18(25)23-17-4-2-13(11-21-17)24-5-7-27-8-6-24/h1-4,9,11,16H,5-8,10H2,(H,22,26)(H,21,23,25)/t16-/m0/s1
InChIKeyGPBRLGSAWHWXQG-INIZCTEOSA-N
XLogP3.01
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide with MolForge

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Related Compounds

2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 25498203
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 24633693
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 134037676
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705341
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 55932309
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
(2S)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 94145780
(2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 94145778
5-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 134002725
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 16613188
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide (CID 25498200) is 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide is O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
The InChIKey is GPBRLGSAWHWXQG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c20-12-1-3-15-14(9-12)22-19(26)16(28-15)10-18(25)23-17-4-2-13(11-21-17)24-5-7-27-8-6-24/h1-4,9,11,16H,5-8,10H2,(H,22,26)(H,21,23,25)/t16-/m0/s1.
What are the key properties of 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide?
2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide has a molecular weight of 418.91 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 25498200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).