N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine

C11H19N3O2S — CID 97307566

IUPACN-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCO[C@@H]1C[C@@H](Nc2nc(CC)ns2)[C@H]1OC
InChIInChI=1S/C11H19N3O2S/c1-4-9-13-11(17-14-9)12-7-6-8(16-5-2)10(7)15-3/h7-8,10H,4-6H2,1-3H3,(H,12,13,14)/t7-,8-,10-/m1/s1
InChIKeyNCBDWDYCDPOWAE-NQMVMOMDSA-N
MW257.36 g/mol
LogP1.70
Rot. Bonds6

About N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine

N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 97307566) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID97307566
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCO[C@@H]1C[C@@H](Nc2nc(CC)ns2)[C@H]1OC
InChIInChI=1S/C11H19N3O2S/c1-4-9-13-11(17-14-9)12-7-6-8(16-5-2)10(7)15-3/h7-8,10H,4-6H2,1-3H3,(H,12,13,14)/t7-,8-,10-/m1/s1
InChIKeyNCBDWDYCDPOWAE-NQMVMOMDSA-N
XLogP1.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

N-[(1R,2S,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 98870976
3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736542
N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 130758070
3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736671
3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 113364966
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270845
N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 115886007
N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-2-pyridin-4-ylquinazolin-4-amine
CID 124737313
N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268330
2-bromo-N-(3-ethoxy-2-methoxycyclobutyl)-3-methylaniline
CID 113365055
3-ethoxy-2-methoxy-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104759373
3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine
CID 66196295

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 97307566) is N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCO[C@@H]1C[C@@H](Nc2nc(CC)ns2)[C@H]1OC.
What is the InChIKey of N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is NCBDWDYCDPOWAE-NQMVMOMDSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-9-13-11(17-14-9)12-7-6-8(16-5-2)10(7)15-3/h7-8,10H,4-6H2,1-3H3,(H,12,13,14)/t7-,8-,10-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 257.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 97307566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).