(2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide

C11H10ClN3O2S — CID 874230

IUPAC(2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nncs1
InChIInChI=1S/C11H10ClN3O2S/c1-7(10(16)14-11-15-13-6-18-11)17-9-4-2-3-8(12)5-9/h2-7H,1H3,(H,14,15,16)/t7-/m1/s1
InChIKeyHLSSDLJJMUNJTO-SSDOTTSWSA-N
MW283.74 g/mol
LogP2.60
Rot. Bonds4

About (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 874230) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID874230
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nncs1
InChIInChI=1S/C11H10ClN3O2S/c1-7(10(16)14-11-15-13-6-18-11)17-9-4-2-3-8(12)5-9/h2-7H,1H3,(H,14,15,16)/t7-/m1/s1
InChIKeyHLSSDLJJMUNJTO-SSDOTTSWSA-N
XLogP2.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide 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

(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 51958490
2-(3-chlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2933213
2-(3-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17218012
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
2-(3-chlorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 18127589
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 874230) is (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide is C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nncs1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is HLSSDLJJMUNJTO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-7(10(16)14-11-15-13-6-18-11)17-9-4-2-3-8(12)5-9/h2-7H,1H3,(H,14,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 283.74 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 874230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).