1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine

C11H19N3OS — CID 65273524

IUPAC1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine
SMILESCc1nsc(OCC2(N)CCCCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-9-13-10(16-14-9)15-8-11(12)6-4-2-3-5-7-11/h2-8,12H2,1H3
InChIKeyXDURNFDKWQGVMC-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds3

About 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine

1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine (PubChem CID 65273524) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine
PubChem CID65273524
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine
SMILESCc1nsc(OCC2(N)CCCCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-9-13-10(16-14-9)15-8-11(12)6-4-2-3-5-7-11/h2-8,12H2,1H3
InChIKeyXDURNFDKWQGVMC-UHFFFAOYSA-N
XLogP2.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cycloheptan-1-amine
CID 107305916
1-[(3-Methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
CID 65273460
1-[(3-Methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
CID 65273461
3-[(3-Methyl-1,2,4-thiadiazol-5-yl)oxymethyl]pentan-3-amine
CID 65273462
1-[(3-Ethyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
CID 65279961
1-[(3-Propyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
CID 65279963
1-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
CID 65279964
1-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
CID 65280020
1-[(3-Ethyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
CID 65280021
1-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
CID 65280022
1-[(3-Propyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
CID 65280078
1-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
CID 65280079

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine (CID 65273524) is 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine is Cc1nsc(OCC2(N)CCCCCC2)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine?
The InChIKey is XDURNFDKWQGVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9-13-10(16-14-9)15-8-11(12)6-4-2-3-5-7-11/h2-8,12H2,1H3.
What are the key properties of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine?
1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 65273524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).