N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

C14H23N3OS — CID 80620680

IUPACN-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESCCC1CCCC(Oc2nnc(CNC3CC3)s2)C1
InChIInChI=1S/C14H23N3OS/c1-2-10-4-3-5-12(8-10)18-14-17-16-13(19-14)9-15-11-6-7-11/h10-12,15H,2-9H2,1H3
InChIKeyYXRNKNBEDODHLZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.14
Rot. Bonds6

About N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 80620680) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID80620680
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESCCC1CCCC(Oc2nnc(CNC3CC3)s2)C1
InChIInChI=1S/C14H23N3OS/c1-2-10-4-3-5-12(8-10)18-14-17-16-13(19-14)9-15-11-6-7-11/h10-12,15H,2-9H2,1H3
InChIKeyYXRNKNBEDODHLZ-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 80620680) is N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is CCC1CCCC(Oc2nnc(CNC3CC3)s2)C1.
What is the InChIKey of N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is YXRNKNBEDODHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-10-4-3-5-12(8-10)18-14-17-16-13(19-14)9-15-11-6-7-11/h10-12,15H,2-9H2,1H3.
What are the key properties of N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 281.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-ethylcyclohexyl)oxy-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80620680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).