N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C8H14N4S — CID 103353974

IUPACN-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2(N)CCC2)n1
InChIInChI=1S/C8H14N4S/c1-6-11-7(13-12-6)10-5-8(9)3-2-4-8/h2-5,9H2,1H3,(H,10,11,12)
InChIKeyDNOXGXRINQBTDA-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.14
Rot. Bonds3

About N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 103353974) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID103353974
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC NameN-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2(N)CCC2)n1
InChIInChI=1S/C8H14N4S/c1-6-11-7(13-12-6)10-5-8(9)3-2-4-8/h2-5,9H2,1H3,(H,10,11,12)
InChIKeyDNOXGXRINQBTDA-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 103353974) is N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2(N)CCC2)n1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DNOXGXRINQBTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-11-7(13-12-6)10-5-8(9)3-2-4-8/h2-5,9H2,1H3,(H,10,11,12).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 198.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103353974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).