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

C20H21N3O3S — CID 42414795

IUPAC(2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-12-9-13(2)11-17(10-12)26-14(3)19(24)22-20-21-18(23-27-20)15-5-7-16(25-4)8-6-15/h5-11,14H,1-4H3,(H,21,22,23,24)/t14-/m1/s1
InChIKeyJGOBITGOKGPATO-CQSZACIVSA-N
MW383.47 g/mol
LogP4.24
Rot. Bonds6

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

(2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide (PubChem CID 42414795) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
PubChem CID42414795
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name(2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-12-9-13(2)11-17(10-12)26-14(3)19(24)22-20-21-18(23-27-20)15-5-7-16(25-4)8-6-15/h5-11,14H,1-4H3,(H,21,22,23,24)/t14-/m1/s1
InChIKeyJGOBITGOKGPATO-CQSZACIVSA-N
XLogP4.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 35343072
(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414813
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414805
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414828
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
(2R)-2-(2-methoxyphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35041836
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35526865
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 4812491

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide (CID 42414795) is (2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide is COc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)n2)cc1.
What is the InChIKey of (2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The InChIKey is JGOBITGOKGPATO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-12-9-13(2)11-17(10-12)26-14(3)19(24)22-20-21-18(23-27-20)15-5-7-16(25-4)8-6-15/h5-11,14H,1-4H3,(H,21,22,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
(2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide has a molecular weight of 383.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide is sourced from PubChem (CID 42414795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).