1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine

C8H13N3S — CID 164653831

IUPAC1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CC2(N)CCC2)s1
InChIInChI=1S/C8H13N3S/c1-6-10-11-7(12-6)5-8(9)3-2-4-8/h2-5,9H2,1H3
InChIKeyCFJYOMFKVVFGCN-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.27
Rot. Bonds2

About 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine

1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 164653831) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID164653831
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CC2(N)CCC2)s1
InChIInChI=1S/C8H13N3S/c1-6-10-11-7(12-6)5-8(9)3-2-4-8/h2-5,9H2,1H3
InChIKeyCFJYOMFKVVFGCN-UHFFFAOYSA-N
XLogP1.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine (CID 164653831) is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine is Cc1nnc(CC2(N)CCC2)s1.
What is the InChIKey of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is CFJYOMFKVVFGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-10-11-7(12-6)5-8(9)3-2-4-8/h2-5,9H2,1H3.
What are the key properties of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 183.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 164653831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).