1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine

C8H14N4S — CID 107647807

IUPAC1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine
SMILESCCc1nnc(NC2CC(N)C2)s1
InChIInChI=1S/C8H14N4S/c1-2-7-11-12-8(13-7)10-6-3-5(9)4-6/h5-6H,2-4,9H2,1H3,(H,10,12)
InChIKeyVGCQEJMHOWQONZ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.00
Rot. Bonds3

About 1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine

1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine (PubChem CID 107647807) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine
PubChem CID107647807
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine
SMILESCCc1nnc(NC2CC(N)C2)s1
InChIInChI=1S/C8H14N4S/c1-2-7-11-12-8(13-7)10-6-3-5(9)4-6/h5-6H,2-4,9H2,1H3,(H,10,12)
InChIKeyVGCQEJMHOWQONZ-UHFFFAOYSA-N
XLogP1.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647717
5-ethyl-N-(thian-4-yl)-1,3,4-thiadiazol-2-amine
CID 107647994
N-(4,4-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648100
5-ethyl-N-[3-(2-methylphenyl)cyclobutyl]-1,3,4-thiadiazol-2-amine
CID 107647620
N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648198
N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648069
N-(4,4-dimethylcycloheptyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647699
5-ethyl-N-(2-propan-2-yloxan-4-yl)-1,3,4-thiadiazol-2-amine
CID 107648011
N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647773
N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647648
N-(3-methylcyclobutyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260659

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine (CID 107647807) is 1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine is CCc1nnc(NC2CC(N)C2)s1.
What is the InChIKey of 1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine?
The InChIKey is VGCQEJMHOWQONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-2-7-11-12-8(13-7)10-6-3-5(9)4-6/h5-6H,2-4,9H2,1H3,(H,10,12).
What are the key properties of 1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine?
1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine has a molecular weight of 198.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 107647807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).