[3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine

C10H17N3S — CID 164652955

IUPAC[3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine
SMILESCc1nnsc1CC1(CN)CC(C)C1
InChIInChI=1S/C10H17N3S/c1-7-3-10(4-7,6-11)5-9-8(2)12-13-14-9/h7H,3-6,11H2,1-2H3
InChIKeyVDBGPJFJLICSDU-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.76
Rot. Bonds3

About [3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine

[3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine (PubChem CID 164652955) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is [3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine
PubChem CID164652955
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name[3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine
SMILESCc1nnsc1CC1(CN)CC(C)C1
InChIInChI=1S/C10H17N3S/c1-7-3-10(4-7,6-11)5-9-8(2)12-13-14-9/h7H,3-6,11H2,1-2H3
InChIKeyVDBGPJFJLICSDU-UHFFFAOYSA-N
XLogP1.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine (CID 164652955) is [3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine is Cc1nnsc1CC1(CN)CC(C)C1.
What is the InChIKey of [3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine?
The InChIKey is VDBGPJFJLICSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-3-10(4-7,6-11)5-9-8(2)12-13-14-9/h7H,3-6,11H2,1-2H3.
What are the key properties of [3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine?
[3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(4-methylthiadiazol-5-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 164652955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).