N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane

C16H31N5S — CID 143722233

IUPACN,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane
SMILESCC.CN(C)c1nsc(N2CCC(C3CCNCC3)CC2)n1
InChIInChI=1S/C14H25N5S.C2H6/c1-18(2)13-16-14(20-17-13)19-9-5-12(6-10-19)11-3-7-15-8-4-11;1-2/h11-12,15H,3-10H2,1-2H3;1-2H3
InChIKeyGHLGNYYDTJKHPU-UHFFFAOYSA-N
MW325.53 g/mol
LogP2.85
Rot. Bonds3

About N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane

N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane (PubChem CID 143722233) has the molecular formula C16H31N5S and a molecular weight of 325.53 g/mol. Its IUPAC name is N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane
PubChem CID143722233
Molecular FormulaC16H31N5S
Molecular Weight325.53 g/mol
Exact Mass325.23
IUPAC NameN,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane
SMILESCC.CN(C)c1nsc(N2CCC(C3CCNCC3)CC2)n1
InChIInChI=1S/C14H25N5S.C2H6/c1-18(2)13-16-14(20-17-13)19-9-5-12(6-10-19)11-3-7-15-8-4-11;1-2/h11-12,15H,3-10H2,1-2H3;1-2H3
InChIKeyGHLGNYYDTJKHPU-UHFFFAOYSA-N
XLogP2.85
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 52.85
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-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane?
The IUPAC name of N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane (CID 143722233) is N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane.
What is the SMILES notation for N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane?
The canonical SMILES for N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane is CC.CN(C)c1nsc(N2CCC(C3CCNCC3)CC2)n1.
What is the InChIKey of N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane?
The InChIKey is GHLGNYYDTJKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S.C2H6/c1-18(2)13-16-14(20-17-13)19-9-5-12(6-10-19)11-3-7-15-8-4-11;1-2/h11-12,15H,3-10H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane?
N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane has a molecular weight of 325.53 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine;ethane is sourced from PubChem (CID 143722233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).