1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine

C14H26N4S — CID 59598889

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
SMILESCc1nsc(N2CCC(N(C(C)C)C(C)C)CC2)n1
InChIInChI=1S/C14H26N4S/c1-10(2)18(11(3)4)13-6-8-17(9-7-13)14-15-12(5)16-19-14/h10-11,13H,6-9H2,1-5H3
InChIKeyXBBUPCWDASZTJT-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.93
Rot. Bonds4

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine

1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine (PubChem CID 59598889) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
PubChem CID59598889
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
SMILESCc1nsc(N2CCC(N(C(C)C)C(C)C)CC2)n1
InChIInChI=1S/C14H26N4S/c1-10(2)18(11(3)4)13-6-8-17(9-7-13)14-15-12(5)16-19-14/h10-11,13H,6-9H2,1-5H3
InChIKeyXBBUPCWDASZTJT-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine (CID 59598889) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine is Cc1nsc(N2CCC(N(C(C)C)C(C)C)CC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine?
The InChIKey is XBBUPCWDASZTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-10(2)18(11(3)4)13-6-8-17(9-7-13)14-15-12(5)16-19-14/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine?
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine has a molecular weight of 282.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine is sourced from PubChem (CID 59598889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).