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

C13H21N3OS — CID 80620132

IUPACN-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESC1CCC(COc2nnc(CNC3CC3)s2)CC1
InChIInChI=1S/C13H21N3OS/c1-2-4-10(5-3-1)9-17-13-16-15-12(18-13)8-14-11-6-7-11/h10-11,14H,1-9H2
InChIKeyQJFJEGOLHPDPHM-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.75
Rot. Bonds6

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

N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 80620132) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID80620132
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESC1CCC(COc2nnc(CNC3CC3)s2)CC1
InChIInChI=1S/C13H21N3OS/c1-2-4-10(5-3-1)9-17-13-16-15-12(18-13)8-14-11-6-7-11/h10-11,14H,1-9H2
InChIKeyQJFJEGOLHPDPHM-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(cyclohexylmethoxy)-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-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 80620132) is N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is C1CCC(COc2nnc(CNC3CC3)s2)CC1.
What is the InChIKey of N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is QJFJEGOLHPDPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-4-10(5-3-1)9-17-13-16-15-12(18-13)8-14-11-6-7-11/h10-11,14H,1-9H2.
What are the key properties of N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 267.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80620132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).