(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide

C14H16ClN3O2S — CID 35526865

IUPAC(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nsc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)n1
InChIInChI=1S/C14H16ClN3O2S/c1-7-5-11(6-8(2)12(7)15)20-9(3)13(19)17-14-16-10(4)18-21-14/h5-6,9H,1-4H3,(H,16,17,18,19)/t9-/m1/s1
InChIKeyXGQLLJMVYJCMNG-SECBINFHSA-N
MW325.82 g/mol
LogP3.52
Rot. Bonds4

About (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide

(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 35526865) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID35526865
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nsc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)n1
InChIInChI=1S/C14H16ClN3O2S/c1-7-5-11(6-8(2)12(7)15)20-9(3)13(19)17-14-16-10(4)18-21-14/h5-6,9H,1-4H3,(H,16,17,18,19)/t9-/m1/s1
InChIKeyXGQLLJMVYJCMNG-SECBINFHSA-N
XLogP3.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 734849
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 35343072
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19220108
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 19191588
2-(4-chloro-3,5-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 2968089
2-(4-chloro-3,5-dimethylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)propanamide
CID 19213791
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19191706
methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 19191615
N-(4-bromo-2-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 19228929

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (CID 35526865) is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is Cc1nsc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)n1.
What is the InChIKey of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is XGQLLJMVYJCMNG-SECBINFHSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-7-5-11(6-8(2)12(7)15)20-9(3)13(19)17-14-16-10(4)18-21-14/h5-6,9H,1-4H3,(H,16,17,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 325.82 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 35526865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).