[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine

C11H19N3OS — CID 80620321

IUPAC[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC1CCC(Oc2nnc(CN)s2)CC1C
InChIInChI=1S/C11H19N3OS/c1-7-3-4-9(5-8(7)2)15-11-14-13-10(6-12)16-11/h7-9H,3-6,12H2,1-2H3
InChIKeyGQXYCMHNSHYZCF-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.20
Rot. Bonds3

About [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine

[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 80620321) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID80620321
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC1CCC(Oc2nnc(CN)s2)CC1C
InChIInChI=1S/C11H19N3OS/c1-7-3-4-9(5-8(7)2)15-11-14-13-10(6-12)16-11/h7-9H,3-6,12H2,1-2H3
InChIKeyGQXYCMHNSHYZCF-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine (CID 80620321) is [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine is CC1CCC(Oc2nnc(CN)s2)CC1C.
What is the InChIKey of [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is GQXYCMHNSHYZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7-3-4-9(5-8(7)2)15-11-14-13-10(6-12)16-11/h7-9H,3-6,12H2,1-2H3.
What are the key properties of [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine?
[5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 241.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 80620321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).