3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

C13H19N3OS — CID 19075213

IUPAC3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCC1CC1COc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C13H19N3OS/c1-9-6-11(9)8-17-13-12(14-18-15-13)10-4-3-5-16(2)7-10/h4,9,11H,3,5-8H2,1-2H3
InChIKeyBMYDPMQCNCBXCO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.29
Rot. Bonds4

About 3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 19075213) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
PubChem CID19075213
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
SMILESCC1CC1COc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C13H19N3OS/c1-9-6-11(9)8-17-13-12(14-18-15-13)10-4-3-5-16(2)7-10/h4,9,11H,3,5-8H2,1-2H3
InChIKeyBMYDPMQCNCBXCO-UHFFFAOYSA-N
XLogP2.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole (CID 19075213) is 3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is CC1CC1COc1nsnc1C1=CCCN(C)C1.
What is the InChIKey of 3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is BMYDPMQCNCBXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-6-11(9)8-17-13-12(14-18-15-13)10-4-3-5-16(2)7-10/h4,9,11H,3,5-8H2,1-2H3.
What are the key properties of 3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole?
3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 265.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropyl)methoxy]-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 19075213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).