1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine

C19H22N4O2S — CID 56718994

IUPAC1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine
SMILESCC(NC1CCN(c2ccc3c(c2)OCO3)CC1)c1cn2ccsc2n1
InChIInChI=1S/C19H22N4O2S/c1-13(16-11-23-8-9-26-19(23)21-16)20-14-4-6-22(7-5-14)15-2-3-17-18(10-15)25-12-24-17/h2-3,8-11,13-14,20H,4-7,12H2,1H3
InChIKeyDRZCJFRTJBFIPH-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.44
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine

1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine (PubChem CID 56718994) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine
PubChem CID56718994
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine
SMILESCC(NC1CCN(c2ccc3c(c2)OCO3)CC1)c1cn2ccsc2n1
InChIInChI=1S/C19H22N4O2S/c1-13(16-11-23-8-9-26-19(23)21-16)20-14-4-6-22(7-5-14)15-2-3-17-18(10-15)25-12-24-17/h2-3,8-11,13-14,20H,4-7,12H2,1H3
InChIKeyDRZCJFRTJBFIPH-UHFFFAOYSA-N
XLogP3.44
TPSA51.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine (CID 56718994) is 1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine is CC(NC1CCN(c2ccc3c(c2)OCO3)CC1)c1cn2ccsc2n1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine?
The InChIKey is DRZCJFRTJBFIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13(16-11-23-8-9-26-19(23)21-16)20-14-4-6-22(7-5-14)15-2-3-17-18(10-15)25-12-24-17/h2-3,8-11,13-14,20H,4-7,12H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine?
1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine has a molecular weight of 370.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine is sourced from PubChem (CID 56718994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).