3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole

C11H11N3OS — CID 19075239

IUPAC3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
SMILESc1cncc(-c2nsnc2OCC2CC2)c1
InChIInChI=1S/C11H11N3OS/c1-2-9(6-12-5-1)10-11(14-16-13-10)15-7-8-3-4-8/h1-2,5-6,8H,3-4,7H2
InChIKeyKCUKULAEWROPEB-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.39
Rot. Bonds4

About 3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole

3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole (PubChem CID 19075239) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
PubChem CID19075239
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
SMILESc1cncc(-c2nsnc2OCC2CC2)c1
InChIInChI=1S/C11H11N3OS/c1-2-9(6-12-5-1)10-11(14-16-13-10)15-7-8-3-4-8/h1-2,5-6,8H,3-4,7H2
InChIKeyKCUKULAEWROPEB-UHFFFAOYSA-N
XLogP2.39
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole?
The IUPAC name of 3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole (CID 19075239) is 3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole.
What is the SMILES notation for 3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole?
The canonical SMILES for 3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole is c1cncc(-c2nsnc2OCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole?
The InChIKey is KCUKULAEWROPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-2-9(6-12-5-1)10-11(14-16-13-10)15-7-8-3-4-8/h1-2,5-6,8H,3-4,7H2.
What are the key properties of 3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole?
3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole has a molecular weight of 233.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole is sourced from PubChem (CID 19075239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).