4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole

C11H13N3S — CID 20771961

IUPAC4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole
SMILESCC(C)Cc1ccc(-c2csnn2)nc1
InChIInChI=1S/C11H13N3S/c1-8(2)5-9-3-4-10(12-6-9)11-7-15-14-13-11/h3-4,6-8H,5H2,1-2H3
InChIKeyVVEOHVYPLDVXCR-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.80
Rot. Bonds3

About 4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole

4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole (PubChem CID 20771961) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole.

Molecular Properties

Compound Name4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole
PubChem CID20771961
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole
SMILESCC(C)Cc1ccc(-c2csnn2)nc1
InChIInChI=1S/C11H13N3S/c1-8(2)5-9-3-4-10(12-6-9)11-7-15-14-13-11/h3-4,6-8H,5H2,1-2H3
InChIKeyVVEOHVYPLDVXCR-UHFFFAOYSA-N
XLogP2.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole?
The IUPAC name of 4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole (CID 20771961) is 4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole.
What is the SMILES notation for 4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole?
The canonical SMILES for 4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole is CC(C)Cc1ccc(-c2csnn2)nc1.
What is the InChIKey of 4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole?
The InChIKey is VVEOHVYPLDVXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8(2)5-9-3-4-10(12-6-9)11-7-15-14-13-11/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole?
4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole has a molecular weight of 219.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylpropyl)-2-pyridinyl]thiadiazole is sourced from PubChem (CID 20771961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).