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

C13H24N4OS — CID 102966690

IUPAC5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCC(C)C(OC)C2)s1
InChIInChI=1S/C13H24N4OS/c1-4-6-14-13-16-15-12(19-13)9-17-7-5-10(2)11(8-17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyLCXCYHXWXCOJRV-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.22
Rot. Bonds6

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

5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 102966690) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID102966690
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCC(C)C(OC)C2)s1
InChIInChI=1S/C13H24N4OS/c1-4-6-14-13-16-15-12(19-13)9-17-7-5-10(2)11(8-17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyLCXCYHXWXCOJRV-UHFFFAOYSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 102966690) is 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN2CCC(C)C(OC)C2)s1.
What is the InChIKey of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LCXCYHXWXCOJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-6-14-13-16-15-12(19-13)9-17-7-5-10(2)11(8-17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 284.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 102966690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).