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

C10H17N3S — CID 130710881

IUPAC3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CNC2CC(C)(C)C2)s1
InChIInChI=1S/C10H17N3S/c1-7-12-13-9(14-7)6-11-8-4-10(2,3)5-8/h8,11H,4-6H2,1-3H3
InChIKeyHIXLXTQDRVWJIQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.12
Rot. Bonds3

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

3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 130710881) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID130710881
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1nnc(CNC2CC(C)(C)C2)s1
InChIInChI=1S/C10H17N3S/c1-7-12-13-9(14-7)6-11-8-4-10(2,3)5-8/h8,11H,4-6H2,1-3H3
InChIKeyHIXLXTQDRVWJIQ-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine (CID 130710881) is 3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine is Cc1nnc(CNC2CC(C)(C)C2)s1.
What is the InChIKey of 3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is HIXLXTQDRVWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-12-13-9(14-7)6-11-8-4-10(2,3)5-8/h8,11H,4-6H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine?
3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 130710881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).