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

C13H14ClN3O2S — CID 2992863

IUPAC2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)Oc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C13H14ClN3O2S/c1-7-6-10(4-5-11(7)14)19-8(2)12(18)15-13-17-16-9(3)20-13/h4-6,8H,1-3H3,(H,15,17,18)
InChIKeySVCWTKKLTJBWCG-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.21
Rot. Bonds4

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

2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 2992863) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID2992863
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)Oc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C13H14ClN3O2S/c1-7-6-10(4-5-11(7)14)19-8(2)12(18)15-13-17-16-9(3)20-13/h4-6,8H,1-3H3,(H,15,17,18)
InChIKeySVCWTKKLTJBWCG-UHFFFAOYSA-N
XLogP3.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-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-(4-chloro-3-methylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 98845876
(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7346755
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2996131
(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
2-(4-chloro-3-methylphenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4699622
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2967064
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 55851834
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
CID 53265997

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 2992863) is 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)C(C)Oc2ccc(Cl)c(C)c2)s1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is SVCWTKKLTJBWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-7-6-10(4-5-11(7)14)19-8(2)12(18)15-13-17-16-9(3)20-13/h4-6,8H,1-3H3,(H,15,17,18).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 311.79 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 2992863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).