N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine

C9H16N4S — CID 80607402

IUPACN-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCCCC2)s1
InChIInChI=1S/C9H16N4S/c1-10-9-12-11-8(14-9)7-13-5-3-2-4-6-13/h2-7H2,1H3,(H,10,12)
InChIKeyULJNZQOPKKVLHI-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.57
Rot. Bonds3

About N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine

N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80607402) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80607402
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCCCC2)s1
InChIInChI=1S/C9H16N4S/c1-10-9-12-11-8(14-9)7-13-5-3-2-4-6-13/h2-7H2,1H3,(H,10,12)
InChIKeyULJNZQOPKKVLHI-UHFFFAOYSA-N
XLogP1.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 80607402) is N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine is CNc1nnc(CN2CCCCC2)s1.
What is the InChIKey of N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ULJNZQOPKKVLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-10-9-12-11-8(14-9)7-13-5-3-2-4-6-13/h2-7H2,1H3,(H,10,12).
What are the key properties of N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(piperidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).