2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole

C10H16BrN3OS — CID 64624316

IUPAC2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
SMILESCCCOC1CCCN(c2nnc(Br)s2)C1
InChIInChI=1S/C10H16BrN3OS/c1-2-6-15-8-4-3-5-14(7-8)10-13-12-9(11)16-10/h8H,2-7H2,1H3
InChIKeyYWWZGLVSEADQIN-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.70
Rot. Bonds4

About 2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole

2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 64624316) has the molecular formula C10H16BrN3OS and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID64624316
Molecular FormulaC10H16BrN3OS
Molecular Weight306.23 g/mol
Exact Mass305.02
IUPAC Name2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
SMILESCCCOC1CCCN(c2nnc(Br)s2)C1
InChIInChI=1S/C10H16BrN3OS/c1-2-6-15-8-4-3-5-14(7-8)10-13-12-9(11)16-10/h8H,2-7H2,1H3
InChIKeyYWWZGLVSEADQIN-UHFFFAOYSA-N
XLogP2.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole (CID 64624316) is 2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole is CCCOC1CCCN(c2nnc(Br)s2)C1.
What is the InChIKey of 2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is YWWZGLVSEADQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3OS/c1-2-6-15-8-4-3-5-14(7-8)10-13-12-9(11)16-10/h8H,2-7H2,1H3.
What are the key properties of 2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole?
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 306.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 64624316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).