1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone

C14H16N2O3S — CID 124851733

IUPAC1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1O[C@@H](C)c1nnc(C)s1
InChIInChI=1S/C14H16N2O3S/c1-8(17)11-5-6-12(13(7-11)18-4)19-9(2)14-16-15-10(3)20-14/h5-7,9H,1-4H3/t9-/m0/s1
InChIKeySVSFLOOAJMBWLM-VIFPVBQESA-N
MW292.36 g/mol
LogP3.20
Rot. Bonds5

About 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone

1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone (PubChem CID 124851733) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone
PubChem CID124851733
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1O[C@@H](C)c1nnc(C)s1
InChIInChI=1S/C14H16N2O3S/c1-8(17)11-5-6-12(13(7-11)18-4)19-9(2)14-16-15-10(3)20-14/h5-7,9H,1-4H3/t9-/m0/s1
InChIKeySVSFLOOAJMBWLM-VIFPVBQESA-N
XLogP3.20
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
CID 68617560
1-[4-(1-chloropropoxy)-3-methoxyphenyl]ethanone
CID 22015651
2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid
CID 43822990
3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760036
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
3-(4-acetyl-2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537568
4-(4-acetyl-2-methoxyphenoxy)pentanehydrazide
CID 63575469
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535
1-[4-methoxy-3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052432
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate
CID 117053368

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone (CID 124851733) is 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone is COc1cc(C(C)=O)ccc1O[C@@H](C)c1nnc(C)s1.
What is the InChIKey of 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone?
The InChIKey is SVSFLOOAJMBWLM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8(17)11-5-6-12(13(7-11)18-4)19-9(2)14-16-15-10(3)20-14/h5-7,9H,1-4H3/t9-/m0/s1.
What are the key properties of 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone?
1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone has a molecular weight of 292.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 124851733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).