1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine

C12H21N3OS — CID 103167298

IUPAC1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine
SMILESCCOC1CC(Cc2nnc(C(C)NC)s2)C1
InChIInChI=1S/C12H21N3OS/c1-4-16-10-5-9(6-10)7-11-14-15-12(17-11)8(2)13-3/h8-10,13H,4-7H2,1-3H3
InChIKeyKXXAKZUIHLJIAB-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.18
Rot. Bonds6

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

1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine (PubChem CID 103167298) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine
PubChem CID103167298
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine
SMILESCCOC1CC(Cc2nnc(C(C)NC)s2)C1
InChIInChI=1S/C12H21N3OS/c1-4-16-10-5-9(6-10)7-11-14-15-12(17-11)8(2)13-3/h8-10,13H,4-7H2,1-3H3
InChIKeyKXXAKZUIHLJIAB-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 103167285
3-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 103167275
1-(3-ethoxycyclobutyl)-N,3-dimethylpentan-2-amine
CID 103169218
N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647717
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 103166233
1-(3-ethoxycyclobutyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 103169247
[5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103167576
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162804
5-[(3-ethoxycyclobutyl)methyl]-4-propan-2-yl-1,2-oxazol-3-amine
CID 103167470
2-(3-ethoxycyclobutyl)-N-[2-(methylamino)propyl]acetamide
CID 103512576
N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine
CID 103163452

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine (CID 103167298) is 1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine is CCOC1CC(Cc2nnc(C(C)NC)s2)C1.
What is the InChIKey of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine?
The InChIKey is KXXAKZUIHLJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-16-10-5-9(6-10)7-11-14-15-12(17-11)8(2)13-3/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine?
1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine has a molecular weight of 255.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 103167298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).