N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C14H26N4S — CID 133358721

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC1CCN(CCCNc2nc(C(C)C)ns2)CC1
InChIInChI=1S/C14H26N4S/c1-11(2)13-16-14(19-17-13)15-7-4-8-18-9-5-12(3)6-10-18/h11-12H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyVEDAERGIVKEABZ-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.20
Rot. Bonds6

About N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 133358721) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID133358721
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC1CCN(CCCNc2nc(C(C)C)ns2)CC1
InChIInChI=1S/C14H26N4S/c1-11(2)13-16-14(19-17-13)15-7-4-8-18-9-5-12(3)6-10-18/h11-12H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyVEDAERGIVKEABZ-UHFFFAOYSA-N
XLogP3.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 133358721) is N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC1CCN(CCCNc2nc(C(C)C)ns2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is VEDAERGIVKEABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-11(2)13-16-14(19-17-13)15-7-4-8-18-9-5-12(3)6-10-18/h11-12H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 282.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133358721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).