(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide

C19H19N3O4S — CID 42414813

IUPAC(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccccc3OC)n2)cc1
InChIInChI=1S/C19H19N3O4S/c1-12(26-16-7-5-4-6-15(16)25-3)18(23)21-19-20-17(22-27-19)13-8-10-14(24-2)11-9-13/h4-12H,1-3H3,(H,20,21,22,23)/t12-/m0/s1
InChIKeyXJLWZPHCLSZXQO-LBPRGKRZSA-N
MW385.45 g/mol
LogP3.63
Rot. Bonds7

About (2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide

(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide (PubChem CID 42414813) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
PubChem CID42414813
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccccc3OC)n2)cc1
InChIInChI=1S/C19H19N3O4S/c1-12(26-16-7-5-4-6-15(16)25-3)18(23)21-19-20-17(22-27-19)13-8-10-14(24-2)11-9-13/h4-12H,1-3H3,(H,20,21,22,23)/t12-/m0/s1
InChIKeyXJLWZPHCLSZXQO-LBPRGKRZSA-N
XLogP3.63
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(2-methoxyphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35041836
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414828
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414805
(2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414795
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 35343072
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100761285
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
4-methoxy-N'-[2-(2-methoxyphenoxy)propanoyl]benzohydrazide
CID 4943348
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190948

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide (CID 42414813) is (2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide.
What is the SMILES notation for (2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The canonical SMILES for (2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide is COc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccccc3OC)n2)cc1.
What is the InChIKey of (2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The InChIKey is XJLWZPHCLSZXQO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12(26-16-7-5-4-6-15(16)25-3)18(23)21-19-20-17(22-27-19)13-8-10-14(24-2)11-9-13/h4-12H,1-3H3,(H,20,21,22,23)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide has a molecular weight of 385.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide is sourced from PubChem (CID 42414813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).