ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate

C20H26N4O4S — CID 3236635

IUPACethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)CC1
InChIInChI=1S/C20H26N4O4S/c1-2-28-20(26)24-7-5-15(6-8-24)21-18(25)14-3-4-16-17(13-14)29-19(22-16)23-9-11-27-12-10-23/h3-4,13,15H,2,5-12H2,1H3,(H,21,25)
InChIKeyRZBKGNBKNPYDHG-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.48
Rot. Bonds4

About ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 3236635) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate
PubChem CID3236635
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Nameethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)CC1
InChIInChI=1S/C20H26N4O4S/c1-2-28-20(26)24-7-5-15(6-8-24)21-18(25)14-3-4-16-17(13-14)29-19(22-16)23-9-11-27-12-10-23/h3-4,13,15H,2,5-12H2,1H3,(H,21,25)
InChIKeyRZBKGNBKNPYDHG-UHFFFAOYSA-N
XLogP2.48
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate (CID 3236635) is ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)CC1.
What is the InChIKey of ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is RZBKGNBKNPYDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-2-28-20(26)24-7-5-15(6-8-24)21-18(25)14-3-4-16-17(13-14)29-19(22-16)23-9-11-27-12-10-23/h3-4,13,15H,2,5-12H2,1H3,(H,21,25).
What are the key properties of ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 418.52 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 3236635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).