1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine

C11H19N3OS — CID 80620931

IUPAC1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine
SMILESCNCc1nnc(OC2CCCCCC2)s1
InChIInChI=1S/C11H19N3OS/c1-12-8-10-13-14-11(16-10)15-9-6-4-2-3-5-7-9/h9,12H,2-8H2,1H3
InChIKeyWYSMANFEBTUPJT-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.36
Rot. Bonds4

About 1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine

1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine (PubChem CID 80620931) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine
PubChem CID80620931
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine
SMILESCNCc1nnc(OC2CCCCCC2)s1
InChIInChI=1S/C11H19N3OS/c1-12-8-10-13-14-11(16-10)15-9-6-4-2-3-5-7-9/h9,12H,2-8H2,1H3
InChIKeyWYSMANFEBTUPJT-UHFFFAOYSA-N
XLogP2.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine (CID 80620931) is 1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine is CNCc1nnc(OC2CCCCCC2)s1.
What is the InChIKey of 1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine?
The InChIKey is WYSMANFEBTUPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-12-8-10-13-14-11(16-10)15-9-6-4-2-3-5-7-9/h9,12H,2-8H2,1H3.
What are the key properties of 1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine?
1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine has a molecular weight of 241.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 80620931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).