N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide

C15H18N2O2S — CID 51207996

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2s1)C1CCOCC1
InChIInChI=1S/C15H18N2O2S/c18-15(11-6-9-19-10-7-11)16-8-5-14-17-12-3-1-2-4-13(12)20-14/h1-4,11H,5-10H2,(H,16,18)
InChIKeyCRGMJXTVMQQAIW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide (PubChem CID 51207996) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
PubChem CID51207996
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCc1nc2ccccc2s1)C1CCOCC1
InChIInChI=1S/C15H18N2O2S/c18-15(11-6-9-19-10-7-11)16-8-5-14-17-12-3-1-2-4-13(12)20-14/h1-4,11H,5-10H2,(H,16,18)
InChIKeyCRGMJXTVMQQAIW-UHFFFAOYSA-N
XLogP2.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 71983741
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 57307039
3-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692173
(3S,5R)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133115531
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46789652
N-[[8-(1,3-benzothiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxane-4-carboxamide
CID 45184192
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 78836452
3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 94171701
N-[2-(1,3-benzothiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 50964204
(2S)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91771287
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 46823836

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide (CID 51207996) is N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide is O=C(NCCc1nc2ccccc2s1)C1CCOCC1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide?
The InChIKey is CRGMJXTVMQQAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-15(11-6-9-19-10-7-11)16-8-5-14-17-12-3-1-2-4-13(12)20-14/h1-4,11H,5-10H2,(H,16,18).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 51207996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).