N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine

C9H15N3OS — CID 102609219

IUPACN-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCOC1CC(Nc2nnc(C)s2)C1
InChIInChI=1S/C9H15N3OS/c1-3-13-8-4-7(5-8)10-9-12-11-6(2)14-9/h7-8H,3-5H2,1-2H3,(H,10,12)
InChIKeyBOFUKQTYHYFRNT-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.83
Rot. Bonds4

About N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 102609219) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID102609219
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCOC1CC(Nc2nnc(C)s2)C1
InChIInChI=1S/C9H15N3OS/c1-3-13-8-4-7(5-8)10-9-12-11-6(2)14-9/h7-8H,3-5H2,1-2H3,(H,10,12)
InChIKeyBOFUKQTYHYFRNT-UHFFFAOYSA-N
XLogP1.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Methoxybutan-2-YL)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 86799556
N-[(2S)-4-methoxybutan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 99698902
N-[(2R)-4-methoxybutan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 99698903
N-(4-propan-2-yloxybutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104925323
N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104925361
N-(3-ethoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113715582
3-ethoxy-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1,2-diamine
CID 114449948
3-[[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclobutan-1-ol
CID 130563465
N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 138046017
5-(2-ethoxyethyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 169687313
5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64915181
N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 64915766

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 102609219) is N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine is CCOC1CC(Nc2nnc(C)s2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BOFUKQTYHYFRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-13-8-4-7(5-8)10-9-12-11-6(2)14-9/h7-8H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 213.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 102609219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).