2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide

C19H24N4O3S — CID 118911064

IUPAC2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(C(C)c3ccc4c(c3)OCO4)CC2)s1
InChIInChI=1S/C19H24N4O3S/c1-3-20-18(24)17-11-21-19(27-17)23-8-6-22(7-9-23)13(2)14-4-5-15-16(10-14)26-12-25-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,20,24)
InChIKeyQFODIYDWZHDUAO-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.50
Rot. Bonds5

About 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide

2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 118911064) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide
PubChem CID118911064
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(C(C)c3ccc4c(c3)OCO4)CC2)s1
InChIInChI=1S/C19H24N4O3S/c1-3-20-18(24)17-11-21-19(27-17)23-8-6-22(7-9-23)13(2)14-4-5-15-16(10-14)26-12-25-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,20,24)
InChIKeyQFODIYDWZHDUAO-UHFFFAOYSA-N
XLogP2.50
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide (CID 118911064) is 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide is CCNC(=O)c1cnc(N2CCN(C(C)c3ccc4c(c3)OCO4)CC2)s1.
What is the InChIKey of 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QFODIYDWZHDUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-3-20-18(24)17-11-21-19(27-17)23-8-6-22(7-9-23)13(2)14-4-5-15-16(10-14)26-12-25-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,20,24).
What are the key properties of 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide?
2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-N-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118911064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).