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

C11H11ClN2OS — CID 60726053

IUPAC3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole
SMILESCC(C)c1ccc(Oc2nsnc2Cl)cc1
InChIInChI=1S/C11H11ClN2OS/c1-7(2)8-3-5-9(6-4-8)15-11-10(12)13-16-14-11/h3-7H,1-2H3
InChIKeyKZCWFMLDOLNKBS-UHFFFAOYSA-N
MW254.74 g/mol
LogP4.11
Rot. Bonds3

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

3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole (PubChem CID 60726053) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole
PubChem CID60726053
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole
SMILESCC(C)c1ccc(Oc2nsnc2Cl)cc1
InChIInChI=1S/C11H11ClN2OS/c1-7(2)8-3-5-9(6-4-8)15-11-10(12)13-16-14-11/h3-7H,1-2H3
InChIKeyKZCWFMLDOLNKBS-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole 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

3-chloro-4-(4-methylphenoxy)-1,2,5-thiadiazole
CID 15050039
3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole
CID 15050036
3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 63506599
3-chloro-4-(4-chloro-3,5-dimethylphenoxy)-1,2,5-thiadiazole
CID 61057608
3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole
CID 116801122
3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole
CID 63506612
N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 139753885
3-chloro-5-(4-fluorophenoxy)-1,2,6-thiadiazin-4-one
CID 15593692
3-chloro-4-(2,4-dimethylphenoxy)-1,2,5-thiadiazole
CID 60726072
3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole
CID 61038458
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole (CID 60726053) is 3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole is CC(C)c1ccc(Oc2nsnc2Cl)cc1.
What is the InChIKey of 3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole?
The InChIKey is KZCWFMLDOLNKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7(2)8-3-5-9(6-4-8)15-11-10(12)13-16-14-11/h3-7H,1-2H3.
What are the key properties of 3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole?
3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole has a molecular weight of 254.74 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-propan-2-ylphenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 60726053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).