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

C11H11ClN2OS — CID 60726356

IUPAC3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole
SMILESCC(C)c1cccc(Oc2nsnc2Cl)c1
InChIInChI=1S/C11H11ClN2OS/c1-7(2)8-4-3-5-9(6-8)15-11-10(12)13-16-14-11/h3-7H,1-2H3
InChIKeyRBZLHFWVLQWVRS-UHFFFAOYSA-N
MW254.74 g/mol
LogP4.11
Rot. Bonds3

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

3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole (PubChem CID 60726356) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole
PubChem CID60726356
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole
SMILESCC(C)c1cccc(Oc2nsnc2Cl)c1
InChIInChI=1S/C11H11ClN2OS/c1-7(2)8-4-3-5-9(6-8)15-11-10(12)13-16-14-11/h3-7H,1-2H3
InChIKeyRBZLHFWVLQWVRS-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole (CID 60726356) is 3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole is CC(C)c1cccc(Oc2nsnc2Cl)c1.
What is the InChIKey of 3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole?
The InChIKey is RBZLHFWVLQWVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7(2)8-4-3-5-9(6-8)15-11-10(12)13-16-14-11/h3-7H,1-2H3.
What are the key properties of 3-chloro-4-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole?
3-chloro-4-(3-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-(3-propan-2-ylphenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 60726356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).