2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole

C11H13N3S — CID 20771952

IUPAC2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole
SMILESCC(C)Cc1ccc(-c2nncs2)nc1
InChIInChI=1S/C11H13N3S/c1-8(2)5-9-3-4-10(12-6-9)11-14-13-7-15-11/h3-4,6-8H,5H2,1-2H3
InChIKeySSMIXIBNHKKKRR-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.80
Rot. Bonds3

About 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole

2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole (PubChem CID 20771952) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole
PubChem CID20771952
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole
SMILESCC(C)Cc1ccc(-c2nncs2)nc1
InChIInChI=1S/C11H13N3S/c1-8(2)5-9-3-4-10(12-6-9)11-14-13-7-15-11/h3-4,6-8H,5H2,1-2H3
InChIKeySSMIXIBNHKKKRR-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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Related Compounds

2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole
CID 20771962
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
2-(2-methylphenyl)-5-(2-methylpropyl)pyridine
CID 129095802
2-ethyl-5-(2-methylpropyl)pyridine
CID 126548709
methane;5-(2-methylpropyl)-2-propan-2-ylpyridine
CID 158292296
5-[5-(2-methylpropyl)-2-pyridinyl]-1,3-oxazole
CID 163929053
5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine
CID 138622767
2-(5-tert-butyl-1H-pyrazol-3-yl)-5-(2-methylpropyl)pyridine
CID 90268941
5-(2-methylpropyl)-2-prop-1-en-2-ylpyridine
CID 146203799
2-[4-(bromomethyl)phenyl]-1,3,4-thiadiazole
CID 86094021
ethane;2-phenyl-1,3,4-thiadiazole
CID 142010140
5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine
CID 59637200

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole (CID 20771952) is 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole is CC(C)Cc1ccc(-c2nncs2)nc1.
What is the InChIKey of 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole?
The InChIKey is SSMIXIBNHKKKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8(2)5-9-3-4-10(12-6-9)11-14-13-7-15-11/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole?
2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-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 2-[5-(2-methylpropyl)-2-pyridinyl]-1,3,4-thiadiazole is sourced from PubChem (CID 20771952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).