5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole

C12H13ClN2OS — CID 133424573

IUPAC5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCc1ccc(Cl)c(Oc2nc(C(C)C)ns2)c1
InChIInChI=1S/C12H13ClN2OS/c1-7(2)11-14-12(17-15-11)16-10-6-8(3)4-5-9(10)13/h4-7H,1-3H3
InChIKeyKVUGGLYMCXFVOW-UHFFFAOYSA-N
MW268.77 g/mol
LogP4.42
Rot. Bonds3

About 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole

5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 133424573) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID133424573
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCc1ccc(Cl)c(Oc2nc(C(C)C)ns2)c1
InChIInChI=1S/C12H13ClN2OS/c1-7(2)11-14-12(17-15-11)16-10-6-8(3)4-5-9(10)13/h4-7H,1-3H3
InChIKeyKVUGGLYMCXFVOW-UHFFFAOYSA-N
XLogP4.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole (CID 133424573) is 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole is Cc1ccc(Cl)c(Oc2nc(C(C)C)ns2)c1.
What is the InChIKey of 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is KVUGGLYMCXFVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-7(2)11-14-12(17-15-11)16-10-6-8(3)4-5-9(10)13/h4-7H,1-3H3.
What are the key properties of 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole?
5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 268.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylphenoxy)-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 133424573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).