4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid

C19H24N4O5S — CID 22719552

IUPAC4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid
SMILESCOc1ccc(C2CCN(C(=O)O)CC2)c2sc(NC(=O)N3CCOCC3)nc12
InChIInChI=1S/C19H24N4O5S/c1-27-14-3-2-13(12-4-6-23(7-5-12)19(25)26)16-15(14)20-17(29-16)21-18(24)22-8-10-28-11-9-22/h2-3,12H,4-11H2,1H3,(H,25,26)(H,20,21,24)
InChIKeyOZLKQNSMJLQUQF-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.03
Rot. Bonds3

About 4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid

4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid (PubChem CID 22719552) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid
PubChem CID22719552
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid
SMILESCOc1ccc(C2CCN(C(=O)O)CC2)c2sc(NC(=O)N3CCOCC3)nc12
InChIInChI=1S/C19H24N4O5S/c1-27-14-3-2-13(12-4-6-23(7-5-12)19(25)26)16-15(14)20-17(29-16)21-18(24)22-8-10-28-11-9-22/h2-3,12H,4-11H2,1H3,(H,25,26)(H,20,21,24)
InChIKeyOZLKQNSMJLQUQF-UHFFFAOYSA-N
XLogP3.03
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]morpholine-4-carboxamide
CID 11326842
N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
CID 11303889
4-(18F)fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 162675230
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 10155956
3-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-1-methyl-1-(oxan-4-yl)urea
CID 11327203
N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(oxan-4-yl)acetamide
CID 11257802
(2S)-N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 11280386
methyl 4-[2-[(4-fluorobenzoyl)amino]-4-methoxy-1,3-benzothiazol-7-yl]piperidine-1-carboxylate
CID 86588849
4-hydroxy-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide
CID 142681404
N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-(methoxymethyl)-4-methylpiperidine-1-carboxamide
CID 86594665
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 11618368
4-(hydroxymethyl)-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide
CID 86597284

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid (CID 22719552) is 4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid is COc1ccc(C2CCN(C(=O)O)CC2)c2sc(NC(=O)N3CCOCC3)nc12.
What is the InChIKey of 4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid?
The InChIKey is OZLKQNSMJLQUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-27-14-3-2-13(12-4-6-23(7-5-12)19(25)26)16-15(14)20-17(29-16)21-18(24)22-8-10-28-11-9-22/h2-3,12H,4-11H2,1H3,(H,25,26)(H,20,21,24).
What are the key properties of 4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid?
4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid has a molecular weight of 420.49 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22719552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).