N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide

C14H16N2O2S — CID 34256873

IUPACN-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide
SMILESCN(C(=O)C1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C14H16N2O2S/c1-16(13(17)10-6-8-18-9-7-10)14-15-11-4-2-3-5-12(11)19-14/h2-5,10H,6-9H2,1H3
InChIKeyQMRWTSOICDFJKN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.69
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide

N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide (PubChem CID 34256873) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide
PubChem CID34256873
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide
SMILESCN(C(=O)C1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C14H16N2O2S/c1-16(13(17)10-6-8-18-9-7-10)14-15-11-4-2-3-5-12(11)19-14/h2-5,10H,6-9H2,1H3
InChIKeyQMRWTSOICDFJKN-UHFFFAOYSA-N
XLogP2.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-N-(1,3-benzothiazol-2-yl)-N,2-dimethylcyclopropane-1-carboxamide
CID 34248200
N-(1,3-benzothiazol-2-yl)-N-methyl-5-oxaspiro[2.4]heptane-2-carboxamide
CID 155948915
N-(1,3-benzothiazol-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 47141340
1-(1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46589855
N-(1,3-benzothiazol-2-yl)-N-methyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 34259968
trans-(1R,2R)-N-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 95156605
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(1,3-benzothiazol-2-yl)-N-methylacetamide
CID 95899814
1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 9166952
N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide
CID 34247695
N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
CID 51207996
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172881655

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide (CID 34256873) is N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide is CN(C(=O)C1CCOCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide?
The InChIKey is QMRWTSOICDFJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16(13(17)10-6-8-18-9-7-10)14-15-11-4-2-3-5-12(11)19-14/h2-5,10H,6-9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 34256873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).