5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine

C15H26N4OS — CID 103362856

IUPAC5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
SMILESCC(C)Oc1c(N)nsc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H26N4OS/c1-11(2)20-13-14(16)17-21-15(13)19-9-6-12(10-19)18-7-4-3-5-8-18/h11-12H,3-10H2,1-2H3,(H2,16,17)
InChIKeyXVJVXYLUDLKBEB-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.58
Rot. Bonds4

About 5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine

5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine (PubChem CID 103362856) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
PubChem CID103362856
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
SMILESCC(C)Oc1c(N)nsc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H26N4OS/c1-11(2)20-13-14(16)17-21-15(13)19-9-6-12(10-19)18-7-4-3-5-8-18/h11-12H,3-10H2,1-2H3,(H2,16,17)
InChIKeyXVJVXYLUDLKBEB-UHFFFAOYSA-N
XLogP2.58
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine?
The IUPAC name of 5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine (CID 103362856) is 5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine is CC(C)Oc1c(N)nsc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of 5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine?
The InChIKey is XVJVXYLUDLKBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-11(2)20-13-14(16)17-21-15(13)19-9-6-12(10-19)18-7-4-3-5-8-18/h11-12H,3-10H2,1-2H3,(H2,16,17).
What are the key properties of 5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine?
5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine has a molecular weight of 310.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine is sourced from PubChem (CID 103362856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).