N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

C16H18N4O3S — CID 84586908

IUPACN-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCOC(C)c1noc(CCC(=O)N(C)c2nc3ccccc3s2)n1
InChIInChI=1S/C16H18N4O3S/c1-10(22-3)15-18-13(23-19-15)8-9-14(21)20(2)16-17-11-6-4-5-7-12(11)24-16/h4-7,10H,8-9H2,1-3H3
InChIKeyWDCARBDTUJRLNZ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.98
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 84586908) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID84586908
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCOC(C)c1noc(CCC(=O)N(C)c2nc3ccccc3s2)n1
InChIInChI=1S/C16H18N4O3S/c1-10(22-3)15-18-13(23-19-15)8-9-14(21)20(2)16-17-11-6-4-5-7-12(11)24-16/h4-7,10H,8-9H2,1-3H3
InChIKeyWDCARBDTUJRLNZ-UHFFFAOYSA-N
XLogP2.98
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 34256400
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 34260376
N-(1,3-benzothiazol-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
CID 111496378
4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methoxy-N-methylbutanamide;dihydrochloride
CID 120594823
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16566675
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79613895
3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide
CID 96528499
N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 34252979
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)sulfanyl-N-methylacetamide
CID 34256508
4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 116744207

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 84586908) is N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is COC(C)c1noc(CCC(=O)N(C)c2nc3ccccc3s2)n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is WDCARBDTUJRLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10(22-3)15-18-13(23-19-15)8-9-14(21)20(2)16-17-11-6-4-5-7-12(11)24-16/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 346.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 84586908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).