4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole

C14H14N4S — CID 2739318

IUPAC4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole
SMILESCc1nn(-c2ccc(-c3csnn3)cc2)c(C)c1C
InChIInChI=1S/C14H14N4S/c1-9-10(2)16-18(11(9)3)13-6-4-12(5-7-13)14-8-19-17-15-14/h4-8H,1-3H3
InChIKeyIIQYBNOQPDWEKN-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.32
Rot. Bonds2

About 4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole

4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole (PubChem CID 2739318) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole
PubChem CID2739318
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole
SMILESCc1nn(-c2ccc(-c3csnn3)cc2)c(C)c1C
InChIInChI=1S/C14H14N4S/c1-9-10(2)16-18(11(9)3)13-6-4-12(5-7-13)14-8-19-17-15-14/h4-8H,1-3H3
InChIKeyIIQYBNOQPDWEKN-UHFFFAOYSA-N
XLogP3.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole?
The IUPAC name of 4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole (CID 2739318) is 4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole.
What is the SMILES notation for 4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole?
The canonical SMILES for 4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole is Cc1nn(-c2ccc(-c3csnn3)cc2)c(C)c1C.
What is the InChIKey of 4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole?
The InChIKey is IIQYBNOQPDWEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-10(2)16-18(11(9)3)13-6-4-12(5-7-13)14-8-19-17-15-14/h4-8H,1-3H3.
What are the key properties of 4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole?
4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole has a molecular weight of 270.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]thiadiazole is sourced from PubChem (CID 2739318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).