(2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

C15H18BrN3O2S — CID 51958424

IUPAC(2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)s1
InChIInChI=1S/C15H18BrN3O2S/c1-4-5-13-18-19-15(22-13)17-14(20)10(3)21-12-7-6-9(2)8-11(12)16/h6-8,10H,4-5H2,1-3H3,(H,17,19,20)/t10-/m1/s1
InChIKeyOJAQXCJVVJNLJI-SNVBAGLBSA-N
MW384.30 g/mol
LogP3.97
Rot. Bonds6

About (2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 51958424) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is (2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID51958424
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name(2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)s1
InChIInChI=1S/C15H18BrN3O2S/c1-4-5-13-18-19-15(22-13)17-14(20)10(3)21-12-7-6-9(2)8-11(12)16/h6-8,10H,4-5H2,1-3H3,(H,17,19,20)/t10-/m1/s1
InChIKeyOJAQXCJVVJNLJI-SNVBAGLBSA-N
XLogP3.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 43843008
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 55776172
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 55523747
2-(4-chloro-2-methylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2930951
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54787321
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110485976
2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202970
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (CID 51958424) is (2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)s1.
What is the InChIKey of (2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is OJAQXCJVVJNLJI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-4-5-13-18-19-15(22-13)17-14(20)10(3)21-12-7-6-9(2)8-11(12)16/h6-8,10H,4-5H2,1-3H3,(H,17,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 384.30 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromo-4-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 51958424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).