2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole

C11H11ClN2S — CID 14556375

IUPAC2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole
SMILESCc1cc(C)c(-c2nnc(Cl)s2)c(C)c1
InChIInChI=1S/C11H11ClN2S/c1-6-4-7(2)9(8(3)5-6)10-13-14-11(12)15-10/h4-5H,1-3H3
InChIKeyVLXOQWIRORZHNV-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.78
Rot. Bonds1

About 2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole

2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole (PubChem CID 14556375) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole
PubChem CID14556375
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole
SMILESCc1cc(C)c(-c2nnc(Cl)s2)c(C)c1
InChIInChI=1S/C11H11ClN2S/c1-6-4-7(2)9(8(3)5-6)10-13-14-11(12)15-10/h4-5H,1-3H3
InChIKeyVLXOQWIRORZHNV-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole (CID 14556375) is 2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole is Cc1cc(C)c(-c2nnc(Cl)s2)c(C)c1.
What is the InChIKey of 2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole?
The InChIKey is VLXOQWIRORZHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-6-4-7(2)9(8(3)5-6)10-13-14-11(12)15-10/h4-5H,1-3H3.
What are the key properties of 2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole?
2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole has a molecular weight of 238.74 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 14556375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).