[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine

C10H18N4S — CID 65272964

IUPAC[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
SMILESCc1nsc(N2CCCC(C)C2CN)n1
InChIInChI=1S/C10H18N4S/c1-7-4-3-5-14(9(7)6-11)10-12-8(2)13-15-10/h7,9H,3-6,11H2,1-2H3
InChIKeyGJZHQNNCHDFZRY-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.41
Rot. Bonds2

About [3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine

[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine (PubChem CID 65272964) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is [3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
PubChem CID65272964
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
SMILESCc1nsc(N2CCCC(C)C2CN)n1
InChIInChI=1S/C10H18N4S/c1-7-4-3-5-14(9(7)6-11)10-12-8(2)13-15-10/h7,9H,3-6,11H2,1-2H3
InChIKeyGJZHQNNCHDFZRY-UHFFFAOYSA-N
XLogP1.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine (CID 65272964) is [3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine is Cc1nsc(N2CCCC(C)C2CN)n1.
What is the InChIKey of [3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
The InChIKey is GJZHQNNCHDFZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7-4-3-5-14(9(7)6-11)10-12-8(2)13-15-10/h7,9H,3-6,11H2,1-2H3.
What are the key properties of [3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine?
[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine has a molecular weight of 226.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 65272964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).