N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C10H18N4S2 — CID 63738017

IUPACN,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCC2CCNCC2)s1
InChIInChI=1S/C10H18N4S2/c1-14(2)9-12-13-10(16-9)15-7-8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3
InChIKeyFIXCIJZODZGGIG-UHFFFAOYSA-N
MW258.42 g/mol
LogP1.70
Rot. Bonds4

About N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 63738017) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID63738017
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC NameN,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCC2CCNCC2)s1
InChIInChI=1S/C10H18N4S2/c1-14(2)9-12-13-10(16-9)15-7-8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3
InChIKeyFIXCIJZODZGGIG-UHFFFAOYSA-N
XLogP1.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 63738017) is N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCC2CCNCC2)s1.
What is the InChIKey of N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FIXCIJZODZGGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c1-14(2)9-12-13-10(16-9)15-7-8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 258.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).